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

C17H17ClN2O4S — CID 41342461

IUPAC3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methoxybenzenesulfonamide
SMILESCCN1C(=O)Cc2cc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)ccc21
InChIInChI=1S/C17H17ClN2O4S/c1-3-20-15-6-4-12(8-11(15)9-17(20)21)19-25(22,23)13-5-7-16(24-2)14(18)10-13/h4-8,10,19H,3,9H2,1-2H3
InChIKeyJJLYNADVJXDTJQ-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.06
Rot. Bonds5

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

3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methoxybenzenesulfonamide (PubChem CID 41342461) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is 3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methoxybenzenesulfonamide
PubChem CID41342461
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methoxybenzenesulfonamide
SMILESCCN1C(=O)Cc2cc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)ccc21
InChIInChI=1S/C17H17ClN2O4S/c1-3-20-15-6-4-12(8-11(15)9-17(20)21)19-25(22,23)13-5-7-16(24-2)14(18)10-13/h4-8,10,19H,3,9H2,1-2H3
InChIKeyJJLYNADVJXDTJQ-UHFFFAOYSA-N
XLogP3.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
CID 41342459
N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide
CID 41342429
N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
CID 20933287
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 20933581
3-chloro-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxybenzenesulfonamide
CID 42448515
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-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 39829723
N-(1-ethyl-2-oxo-3H-indol-5-yl)thiophene-2-sulfonamide
CID 41342430
1-(2-chlorophenyl)-N-(1-ethyl-2-oxo-3H-indol-5-yl)methanesulfonamide
CID 41342474
N-(3-chloro-4-methoxyphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 7287022
3-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzenesulfonamide
CID 46346405

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methoxybenzenesulfonamide (CID 41342461) is 3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methoxybenzenesulfonamide is CCN1C(=O)Cc2cc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)ccc21.
What is the InChIKey of 3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methoxybenzenesulfonamide?
The InChIKey is JJLYNADVJXDTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-3-20-15-6-4-12(8-11(15)9-17(20)21)19-25(22,23)13-5-7-16(24-2)14(18)10-13/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-methoxybenzenesulfonamide?
3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methoxybenzenesulfonamide has a molecular weight of 380.85 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 41342461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).