N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(1H-indol-3-yl)propanamide

C24H22ClN3O3S — CID 26761049

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(1H-indol-3-yl)propanamide
SMILESCc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C24H22ClN3O3S/c1-16-10-12-18(14-23(16)32(30,31)28-22-9-5-3-7-20(22)25)27-24(29)13-11-17-15-26-21-8-4-2-6-19(17)21/h2-10,12,14-15,26,28H,11,13H2,1H3,(H,27,29)
InChIKeyGUJLJBBXLCWRNY-UHFFFAOYSA-N
MW467.98 g/mol
LogP5.50
Rot. Bonds7

About N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(1H-indol-3-yl)propanamide

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 26761049) has the molecular formula C24H22ClN3O3S and a molecular weight of 467.98 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(1H-indol-3-yl)propanamide
PubChem CID26761049
Molecular FormulaC24H22ClN3O3S
Molecular Weight467.98 g/mol
Exact Mass467.11
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(1H-indol-3-yl)propanamide
SMILESCc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C24H22ClN3O3S/c1-16-10-12-18(14-23(16)32(30,31)28-22-9-5-3-7-20(22)25)27-24(29)13-11-17-15-26-21-8-4-2-6-19(17)21/h2-10,12,14-15,26,28H,11,13H2,1H3,(H,27,29)
InChIKeyGUJLJBBXLCWRNY-UHFFFAOYSA-N
XLogP5.50
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.98
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
CID 7900447
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]hexanamide
CID 38019848
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide
CID 3938486
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylsulfanylacetamide
CID 9243850
2-(1H-indol-3-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9140853
3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide
CID 29436777
N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 7926669
(2R)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbutanamide
CID 35560710
N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 42021517
N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
CID 7732917
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978
3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide
CID 26580490

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(1H-indol-3-yl)propanamide (CID 26761049) is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(1H-indol-3-yl)propanamide is Cc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is GUJLJBBXLCWRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3S/c1-16-10-12-18(14-23(16)32(30,31)28-22-9-5-3-7-20(22)25)27-24(29)13-11-17-15-26-21-8-4-2-6-19(17)21/h2-10,12,14-15,26,28H,11,13H2,1H3,(H,27,29).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(1H-indol-3-yl)propanamide?
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 467.98 g/mol, XLogP of 5.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 26761049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).