N-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide

C21H17FN2O3S — CID 2335196

IUPACN-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(F)cc1)N1CCc2ccccc21
InChIInChI=1S/C21H17FN2O3S/c22-16-9-11-17(12-10-16)28(26,27)23-19-7-3-2-6-18(19)21(25)24-14-13-15-5-1-4-8-20(15)24/h1-12,23H,13-14H2
InChIKeyNJKBZSVPXYMGHU-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.83
Rot. Bonds4

About N-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide

N-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide (PubChem CID 2335196) has the molecular formula C21H17FN2O3S and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
PubChem CID2335196
Molecular FormulaC21H17FN2O3S
Molecular Weight396.44 g/mol
Exact Mass396.09
IUPAC NameN-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(F)cc1)N1CCc2ccccc21
InChIInChI=1S/C21H17FN2O3S/c22-16-9-11-17(12-10-16)28(26,27)23-19-7-3-2-6-18(19)21(25)24-14-13-15-5-1-4-8-20(15)24/h1-12,23H,13-14H2
InChIKeyNJKBZSVPXYMGHU-UHFFFAOYSA-N
XLogP3.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336130
4-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
CID 26681045
N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 20959960
4-fluoro-N-[2-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55646336
2,3-dihydroindol-1-yl-[2-(propan-2-ylamino)phenyl]methanone
CID 63107611
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 2336837
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 25036937
N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
CID 99953294
N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 28631519
2,3-dihydroindol-1-yl-(2-pyrrolidin-1-ylphenyl)methanone
CID 168513032
N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 37218502
4-fluoro-N-[2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 35342590

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide (CID 2335196) is N-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide is O=C(c1ccccc1NS(=O)(=O)c1ccc(F)cc1)N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is NJKBZSVPXYMGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3S/c22-16-9-11-17(12-10-16)28(26,27)23-19-7-3-2-6-18(19)21(25)24-14-13-15-5-1-4-8-20(15)24/h1-12,23H,13-14H2.
What are the key properties of N-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide?
N-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 396.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2335196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).