3-[(4-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C18H20ClN3O4S — CID 9299728

IUPAC3-[(4-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClN3O4S/c1-12(2)21-17(23)11-20-18(24)13-4-3-5-16(10-13)27(25,26)22-15-8-6-14(19)7-9-15/h3-10,12,22H,11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyBGKOWSDCZACJSR-UHFFFAOYSA-N
MW409.90 g/mol
LogP2.40
Rot. Bonds7

About 3-[(4-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

3-[(4-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 9299728) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID9299728
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC Name3-[(4-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClN3O4S/c1-12(2)21-17(23)11-20-18(24)13-4-3-5-16(10-13)27(25,26)22-15-8-6-14(19)7-9-15/h3-10,12,22H,11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyBGKOWSDCZACJSR-UHFFFAOYSA-N
XLogP2.40
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)sulfamoyl]-N-ethylbenzamide
CID 26637971
3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062198
3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498991
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
propan-2-yl 3-[(4-chlorophenyl)sulfamoyl]benzoate
CID 43056299
N-(4-acetylphenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 26663686
N-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109065328
3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide
CID 2308611
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27760581
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9301531
3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063950
methyl 2-[[3-(phenylsulfamoyl)benzoyl]amino]acetate
CID 163355301

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 9299728) is 3-[(4-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is CC(C)NC(=O)CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is BGKOWSDCZACJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-12(2)21-17(23)11-20-18(24)13-4-3-5-16(10-13)27(25,26)22-15-8-6-14(19)7-9-15/h3-10,12,22H,11H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 3-[(4-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
3-[(4-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 409.90 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 9299728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).