N-(3-chlorophenyl)sulfonyl-3-indol-1-ylpropanamide

C17H15ClN2O3S — CID 86997837

IUPACN-(3-chlorophenyl)sulfonyl-3-indol-1-ylpropanamide
SMILESO=C(CCn1ccc2ccccc21)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O3S/c18-14-5-3-6-15(12-14)24(22,23)19-17(21)9-11-20-10-8-13-4-1-2-7-16(13)20/h1-8,10,12H,9,11H2,(H,19,21)
InChIKeyHEDAEKFEEGPQOT-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.19
Rot. Bonds5

About N-(3-chlorophenyl)sulfonyl-3-indol-1-ylpropanamide

N-(3-chlorophenyl)sulfonyl-3-indol-1-ylpropanamide (PubChem CID 86997837) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)sulfonyl-3-indol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)sulfonyl-3-indol-1-ylpropanamide
PubChem CID86997837
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC NameN-(3-chlorophenyl)sulfonyl-3-indol-1-ylpropanamide
SMILESO=C(CCn1ccc2ccccc21)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O3S/c18-14-5-3-6-15(12-14)24(22,23)19-17(21)9-11-20-10-8-13-4-1-2-7-16(13)20/h1-8,10,12H,9,11H2,(H,19,21)
InChIKeyHEDAEKFEEGPQOT-UHFFFAOYSA-N
XLogP3.19
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzenesulfonyl)-2-indol-1-ylacetamide
CID 87044187
3-indol-1-yl-N-(2-methylsulfonylethylsulfonyl)propanamide
CID 75386486
N-(3-chlorophenyl)sulfonyl-4-methylpentanamide
CID 47233055
N-(2,3-dichlorophenyl)-3-indol-1-ylpropanamide
CID 84554858
N-[5-chloro-2-(dimethylamino)phenyl]-3-indol-1-ylpropanamide
CID 56532124
N-[4-(carbamoylsulfamoyl)phenyl]-3-(5-chloroindol-1-yl)propanamide;molecular hydrogen
CID 157439819
1,3-bis[(3-chlorophenyl)sulfonyl]urea
CID 155928665
N-(3,4-dimethoxyphenyl)sulfonyl-2-indol-1-ylacetamide
CID 75404791
N-(3-chlorophenyl)sulfonyl-4-ethoxybutanamide
CID 47269873
3-(5-chloroindol-1-yl)propanehydrazide
CID 63878514
(E)-3-(3-chlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide
CID 108750521
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-indol-1-ylpropanamide
CID 71709006

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)sulfonyl-3-indol-1-ylpropanamide?
The IUPAC name of N-(3-chlorophenyl)sulfonyl-3-indol-1-ylpropanamide (CID 86997837) is N-(3-chlorophenyl)sulfonyl-3-indol-1-ylpropanamide.
What is the SMILES notation for N-(3-chlorophenyl)sulfonyl-3-indol-1-ylpropanamide?
The canonical SMILES for N-(3-chlorophenyl)sulfonyl-3-indol-1-ylpropanamide is O=C(CCn1ccc2ccccc21)NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)sulfonyl-3-indol-1-ylpropanamide?
The InChIKey is HEDAEKFEEGPQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c18-14-5-3-6-15(12-14)24(22,23)19-17(21)9-11-20-10-8-13-4-1-2-7-16(13)20/h1-8,10,12H,9,11H2,(H,19,21).
What are the key properties of N-(3-chlorophenyl)sulfonyl-3-indol-1-ylpropanamide?
N-(3-chlorophenyl)sulfonyl-3-indol-1-ylpropanamide has a molecular weight of 362.84 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)sulfonyl-3-indol-1-ylpropanamide is sourced from PubChem (CID 86997837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).