2-chloro-5-[2-(2,3-dihydroindol-1-yl)acetyl]benzenesulfonamide

C16H15ClN2O3S — CID 126509556

IUPAC2-chloro-5-[2-(2,3-dihydroindol-1-yl)acetyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)CN2CCc3ccccc32)ccc1Cl
InChIInChI=1S/C16H15ClN2O3S/c17-13-6-5-12(9-16(13)23(18,21)22)15(20)10-19-8-7-11-3-1-2-4-14(11)19/h1-6,9H,7-8,10H2,(H2,18,21,22)
InChIKeyIUJZGQBCUQCFFX-UHFFFAOYSA-N
MW350.83 g/mol
LogP2.23
Rot. Bonds4

About 2-chloro-5-[2-(2,3-dihydroindol-1-yl)acetyl]benzenesulfonamide

2-chloro-5-[2-(2,3-dihydroindol-1-yl)acetyl]benzenesulfonamide (PubChem CID 126509556) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 2-chloro-5-[2-(2,3-dihydroindol-1-yl)acetyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[2-(2,3-dihydroindol-1-yl)acetyl]benzenesulfonamide
PubChem CID126509556
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name2-chloro-5-[2-(2,3-dihydroindol-1-yl)acetyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)CN2CCc3ccccc32)ccc1Cl
InChIInChI=1S/C16H15ClN2O3S/c17-13-6-5-12(9-16(13)23(18,21)22)15(20)10-19-8-7-11-3-1-2-4-14(11)19/h1-6,9H,7-8,10H2,(H2,18,21,22)
InChIKeyIUJZGQBCUQCFFX-UHFFFAOYSA-N
XLogP2.23
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Indapamide
CID 3702
Indapamide, (S)-
CID 12598931
3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methylphenyl)benzamide
CID 1521223
2-chloro-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]benzenesulfonamide
CID 126509632
1-[(4-Chlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide
CID 129218459
1-[(2,4-Dichlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide
CID 129218486
2-chloro-N-(3-methylphenyl)-5-(1-pyrrolidinylcarbonyl)benzenesulfonamide
CID 1265015
4-[4-Chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 2112295
2-chloro-5-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 2331668
1-[4-Chloro-3-(1-pyrrolidinylsulfonyl)benzoyl]-4-phenylpiperazine
CID 2478297
4-chloro-3-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 2678429
4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfinamoylbenzamide;formaldehyde
CID 6604540

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(2,3-dihydroindol-1-yl)acetyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-[2-(2,3-dihydroindol-1-yl)acetyl]benzenesulfonamide (CID 126509556) is 2-chloro-5-[2-(2,3-dihydroindol-1-yl)acetyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[2-(2,3-dihydroindol-1-yl)acetyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[2-(2,3-dihydroindol-1-yl)acetyl]benzenesulfonamide is NS(=O)(=O)c1cc(C(=O)CN2CCc3ccccc32)ccc1Cl.
What is the InChIKey of 2-chloro-5-[2-(2,3-dihydroindol-1-yl)acetyl]benzenesulfonamide?
The InChIKey is IUJZGQBCUQCFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c17-13-6-5-12(9-16(13)23(18,21)22)15(20)10-19-8-7-11-3-1-2-4-14(11)19/h1-6,9H,7-8,10H2,(H2,18,21,22).
What are the key properties of 2-chloro-5-[2-(2,3-dihydroindol-1-yl)acetyl]benzenesulfonamide?
2-chloro-5-[2-(2,3-dihydroindol-1-yl)acetyl]benzenesulfonamide has a molecular weight of 350.83 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(2,3-dihydroindol-1-yl)acetyl]benzenesulfonamide is sourced from PubChem (CID 126509556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).