790284-91-2
2-([(4-BROMO-3-METHYLPHENYL)SULFONYL]AMINO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
Name2-([(4-BROMO-3-METHYLPHENYL)SULFONYL]AMINO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
FormulaC17 H19 Br N2 O3 S2
1Identification
【Name】
2-([(4-BROMO-3-METHYLPHENYL)SULFONYL]AMINO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
【CAS】
【MDL】
MFCD04941580
【English Synonyms】
【Formula】
C17 H19 Br N2 O3 S2
【MolWeight】
443.384
【Inchi】
InChI=1S/C17H19BrN2O3S2/c1-9-3-5-12-14(7-9)24-17(15(12)16(19)21)20-25(22,23)11-4-6-13(18)10(2)8-11/h4,6,8-9,20H,3,5,7H2,1-2H3,(H2,19,21)
【InChIKey】
InChIKey=FDZTWWJZJFJFMM-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1Br)S(=O)(=O)Nc2c(c3c(s2)CC(CC3)C)C(=O)N
【MOL File】
2-([(4-BROMO-3-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-([(4-BROMO-3-METHYLPHENYL)SULFONYL]AMINO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE.cml