1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide

C23H22N2O3S2 — CID 132671580

IUPAC1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1ccc2c(c1)CC(C)N2C(=O)c1ccccc1
InChIInChI=1S/C23H22N2O3S2/c1-16-14-18-15-19(30(27,28)24-20-10-6-7-11-22(20)29-2)12-13-21(18)25(16)23(26)17-8-4-3-5-9-17/h3-13,15-16,24H,14H2,1-2H3
InChIKeyFSXJYBNNNIXIMU-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.80
Rot. Bonds5

About 1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide

1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 132671580) has the molecular formula C23H22N2O3S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is 1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID132671580
Molecular FormulaC23H22N2O3S2
Molecular Weight438.57 g/mol
Exact Mass438.11
IUPAC Name1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1ccc2c(c1)CC(C)N2C(=O)c1ccccc1
InChIInChI=1S/C23H22N2O3S2/c1-16-14-18-15-19(30(27,28)24-20-10-6-7-11-22(20)29-2)12-13-21(18)25(16)23(26)17-8-4-3-5-9-17/h3-13,15-16,24H,14H2,1-2H3
InChIKeyFSXJYBNNNIXIMU-UHFFFAOYSA-N
XLogP4.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclobutanecarbonyl)-N-(2-fluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 20911661
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide
CID 19257347
3,4-difluoro-N-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
CID 42940841
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
2-chloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 25391393
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 109058986
1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51299300
2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55490088
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
N-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 109063192
N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
CID 28737727
N-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 42940837

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide (CID 132671580) is 1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide is CSc1ccccc1NS(=O)(=O)c1ccc2c(c1)CC(C)N2C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is FSXJYBNNNIXIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S2/c1-16-14-18-15-19(30(27,28)24-20-10-6-7-11-22(20)29-2)12-13-21(18)25(16)23(26)17-8-4-3-5-9-17/h3-13,15-16,24H,14H2,1-2H3.
What are the key properties of 1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide?
1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 438.57 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 132671580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).