3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide

C17H17ClN2O3S — CID 41342459

IUPAC3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
SMILESCCN1C(=O)Cc2cc(NS(=O)(=O)c3ccc(C)c(Cl)c3)ccc21
InChIInChI=1S/C17H17ClN2O3S/c1-3-20-16-7-5-13(8-12(16)9-17(20)21)19-24(22,23)14-6-4-11(2)15(18)10-14/h4-8,10,19H,3,9H2,1-2H3
InChIKeyRBRLRMURWBHISP-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.36
Rot. Bonds4

About 3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide

3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide (PubChem CID 41342459) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
PubChem CID41342459
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
SMILESCCN1C(=O)Cc2cc(NS(=O)(=O)c3ccc(C)c(Cl)c3)ccc21
InChIInChI=1S/C17H17ClN2O3S/c1-3-20-16-7-5-13(8-12(16)9-17(20)21)19-24(22,23)14-6-4-11(2)15(18)10-14/h4-8,10,19H,3,9H2,1-2H3
InChIKeyRBRLRMURWBHISP-UHFFFAOYSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methoxybenzenesulfonamide
CID 41342461
N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
CID 20933287
2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 41342434
N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-fluorobenzenesulfonamide
CID 41342440
3-chloro-4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448468
1-(2-chlorophenyl)-N-(1-ethyl-2-oxo-3H-indol-5-yl)methanesulfonamide
CID 41342474
3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570723
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide
CID 5019779
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 20933581
N-(1-ethyl-2-oxo-3H-indol-5-yl)thiophene-2-sulfonamide
CID 41342430
3-chloro-4-fluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570718
N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-difluorobenzenesulfonamide
CID 20933274

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide (CID 41342459) is 3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide is CCN1C(=O)Cc2cc(NS(=O)(=O)c3ccc(C)c(Cl)c3)ccc21.
What is the InChIKey of 3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide?
The InChIKey is RBRLRMURWBHISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-3-20-16-7-5-13(8-12(16)9-17(20)21)19-24(22,23)14-6-4-11(2)15(18)10-14/h4-8,10,19H,3,9H2,1-2H3.
What are the key properties of 3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide?
3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide has a molecular weight of 364.85 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 41342459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).