4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide

C17H17ClN2O2S — CID 113083568

IUPAC4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2c[nH]c3ccccc23)ccc1Cl
InChIInChI=1S/C17H17ClN2O2S/c1-12-10-14(6-7-16(12)18)23(21,22)20-9-8-13-11-19-17-5-3-2-4-15(13)17/h2-7,10-11,19-20H,8-9H2,1H3
InChIKeyRWPHCQPBTQSBFO-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.65
Rot. Bonds5

About 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide

4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide (PubChem CID 113083568) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
PubChem CID113083568
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2c[nH]c3ccccc23)ccc1Cl
InChIInChI=1S/C17H17ClN2O2S/c1-12-10-14(6-7-16(12)18)23(21,22)20-9-8-13-11-19-17-5-3-2-4-15(13)17/h2-7,10-11,19-20H,8-9H2,1H3
InChIKeyRWPHCQPBTQSBFO-UHFFFAOYSA-N
XLogP3.65
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-(difluoromethoxy)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 78871454
N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide
CID 35539650
N-[2-(1H-indol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 25039281
N-[2-(1H-indol-3-yl)ethyl]-3-nitrobenzenesulfonamide
CID 19590106
4-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2737664
3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 6733520
N-[2-(1H-indol-3-yl)ethyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 91958434
N-[2-(1H-indol-3-yl)ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 27645841
N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2991494
1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 78820847
N-tert-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
CID 109065045
4-(2-chloro-6-nitrophenoxy)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 58615654

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide (CID 113083568) is 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCCc2c[nH]c3ccccc23)ccc1Cl.
What is the InChIKey of 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide?
The InChIKey is RWPHCQPBTQSBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-12-10-14(6-7-16(12)18)23(21,22)20-9-8-13-11-19-17-5-3-2-4-15(13)17/h2-7,10-11,19-20H,8-9H2,1H3.
What are the key properties of 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide?
4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide has a molecular weight of 348.86 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113083568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).