N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide

C19H19ClN2O3S — CID 113090740

IUPACN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)NCC3(c4ccc(Cl)cc4)CC3)ccc21
InChIInChI=1S/C19H19ClN2O3S/c1-22-17-7-6-16(10-13(17)11-18(22)23)26(24,25)21-12-19(8-9-19)14-2-4-15(20)5-3-14/h2-7,10,21H,8-9,11-12H2,1H3
InChIKeyBERQJLNOVAIRQH-UHFFFAOYSA-N
MW390.89 g/mol
LogP2.87
Rot. Bonds5

About N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (PubChem CID 113090740) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
PubChem CID113090740
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)NCC3(c4ccc(Cl)cc4)CC3)ccc21
InChIInChI=1S/C19H19ClN2O3S/c1-22-17-7-6-16(10-13(17)11-18(22)23)26(24,25)21-12-19(8-9-19)14-2-4-15(20)5-3-14/h2-7,10,21H,8-9,11-12H2,1H3
InChIKeyBERQJLNOVAIRQH-UHFFFAOYSA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
(2S,3S)-2-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 155566378
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
1-Acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 20853143
1-[(4-Chlorophenyl)methyl]-2,3-dioxoindole-5-sulfonamide
CID 129218459
2-Chloro-4-(2-oxo-4-phenylpyrrolidin-1-yl)benzene-1-sulfonamide
CID 215705
2-chloro-5-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 2331668
4-chloro-3-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 2678429
N-(4-chlorophenethyl)-4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
CID 7526393
5-[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 16007461
2-(1-Acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(4-chlorophenyl)-3-phenylpropanamide
CID 16020225
N-[(2-Chlorophenyl)methyl]-3-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)propanamide
CID 16020274

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (CID 113090740) is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide is CN1C(=O)Cc2cc(S(=O)(=O)NCC3(c4ccc(Cl)cc4)CC3)ccc21.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is BERQJLNOVAIRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-22-17-7-6-16(10-13(17)11-18(22)23)26(24,25)21-12-19(8-9-19)14-2-4-15(20)5-3-14/h2-7,10,21H,8-9,11-12H2,1H3.
What are the key properties of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 390.89 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 113090740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).