3,4-difluoro-N-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide

C22H18F2N2O3S — CID 42940841

IUPAC3,4-difluoro-N-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C22H18F2N2O3S/c1-14-12-16-4-2-3-5-21(16)26(14)22(27)15-6-8-17(9-7-15)25-30(28,29)18-10-11-19(23)20(24)13-18/h2-11,13-14,25H,12H2,1H3
InChIKeyJMQAHWICTSVWJD-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.36
Rot. Bonds4

About 3,4-difluoro-N-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide

3,4-difluoro-N-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 42940841) has the molecular formula C22H18F2N2O3S and a molecular weight of 428.46 g/mol. Its IUPAC name is 3,4-difluoro-N-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID42940841
Molecular FormulaC22H18F2N2O3S
Molecular Weight428.46 g/mol
Exact Mass428.10
IUPAC Name3,4-difluoro-N-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C22H18F2N2O3S/c1-14-12-16-4-2-3-5-21(16)26(14)22(27)15-6-8-17(9-7-15)25-30(28,29)18-10-11-19(23)20(24)13-18/h2-11,13-14,25H,12H2,1H3
InChIKeyJMQAHWICTSVWJD-UHFFFAOYSA-N
XLogP4.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-difluoro-N-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide
CID 19257347
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 109058986
[4-(methylamino)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62173307
N-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide
CID 94012252
(2-methyl-2,3-dihydroindol-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 3449994
4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide
CID 30935060
[2-(3,4-difluoroanilino)-4-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109178919
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-prop-2-ynylbenzenesulfonamide
CID 55523351
2-fluoro-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 134004891
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 132671580
[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 71903229

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide (CID 42940841) is 3,4-difluoro-N-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide is CC1Cc2ccccc2N1C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3,4-difluoro-N-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is JMQAHWICTSVWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O3S/c1-14-12-16-4-2-3-5-21(16)26(14)22(27)15-6-8-17(9-7-15)25-30(28,29)18-10-11-19(23)20(24)13-18/h2-11,13-14,25H,12H2,1H3.
What are the key properties of 3,4-difluoro-N-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide?
3,4-difluoro-N-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 428.46 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 42940841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).