4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide

C24H24ClN3O3S — CID 100503088

IUPAC4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCC3)cc2)ccc1Cl
InChIInChI=1S/C24H24ClN3O3S/c1-17-6-2-3-7-22(17)27-32(30,31)23-16-18(8-13-21(23)25)24(29)26-19-9-11-20(12-10-19)28-14-4-5-15-28/h2-3,6-13,16,27H,4-5,14-15H2,1H3,(H,26,29)
InChIKeyGELCTUFYKHFFAT-UHFFFAOYSA-N
MW469.99 g/mol
LogP5.30
Rot. Bonds6

About 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide

4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 100503088) has the molecular formula C24H24ClN3O3S and a molecular weight of 469.99 g/mol. Its IUPAC name is 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID100503088
Molecular FormulaC24H24ClN3O3S
Molecular Weight469.99 g/mol
Exact Mass469.12
IUPAC Name4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCC3)cc2)ccc1Cl
InChIInChI=1S/C24H24ClN3O3S/c1-17-6-2-3-7-22(17)27-32(30,31)23-16-18(8-13-21(23)25)24(29)26-19-9-11-20(12-10-19)28-14-4-5-15-28/h2-3,6-13,16,27H,4-5,14-15H2,1H3,(H,26,29)
InChIKeyGELCTUFYKHFFAT-UHFFFAOYSA-N
XLogP5.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.99
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126414116
4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4213074
4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502974
4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4046422
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100520064
4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 3982967
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 126412405
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28635843
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767219
4-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 30857697
methyl 3-[[4-chloro-3-[(2-methylphenyl)sulfamoyl]benzoyl]amino]-4-methylbenzoate
CID 126412706
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
CID 126414644

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide (CID 100503088) is 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide is Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCC3)cc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is GELCTUFYKHFFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3S/c1-17-6-2-3-7-22(17)27-32(30,31)23-16-18(8-13-21(23)25)24(29)26-19-9-11-20(12-10-19)28-14-4-5-15-28/h2-3,6-13,16,27H,4-5,14-15H2,1H3,(H,26,29).
What are the key properties of 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide?
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 469.99 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 100503088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).