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

C24H22ClN3O4S — CID 3938486

IUPACN-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C24H22ClN3O4S/c1-32-22-12-11-19(14-23(22)33(30,31)28-18-9-7-17(25)8-10-18)27-24(29)13-6-16-15-26-21-5-3-2-4-20(16)21/h2-5,7-12,14-15,26,28H,6,13H2,1H3,(H,27,29)
InChIKeyYWZSDTDSDMRHSN-UHFFFAOYSA-N
MW483.98 g/mol
LogP5.20
Rot. Bonds8

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

N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 3938486) has the molecular formula C24H22ClN3O4S and a molecular weight of 483.98 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide
PubChem CID3938486
Molecular FormulaC24H22ClN3O4S
Molecular Weight483.98 g/mol
Exact Mass483.10
IUPAC NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C24H22ClN3O4S/c1-32-22-12-11-19(14-23(22)33(30,31)28-18-9-7-17(25)8-10-18)27-24(29)13-6-16-15-26-21-5-3-2-4-20(16)21/h2-5,7-12,14-15,26,28H,6,13H2,1H3,(H,27,29)
InChIKeyYWZSDTDSDMRHSN-UHFFFAOYSA-N
XLogP5.20
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.98
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 32749964
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(1H-indol-3-yl)propanamide
CID 26761049
N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 42091850
3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide
CID 29436777
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide
CID 9474134
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1H-indol-3-yl)propanamide
CID 7999030
3-(1H-indol-3-yl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide
CID 45493492
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4848572
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide
CID 30877312
N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 42021517
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)propanamide
CID 9428553

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide (CID 3938486) is N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide is COc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is YWZSDTDSDMRHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4S/c1-32-22-12-11-19(14-23(22)33(30,31)28-18-9-7-17(25)8-10-18)27-24(29)13-6-16-15-26-21-5-3-2-4-20(16)21/h2-5,7-12,14-15,26,28H,6,13H2,1H3,(H,27,29).
What are the key properties of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide?
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 483.98 g/mol, XLogP of 5.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 3938486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).