5-chloro-2-(propanoylamino)-N-(4-sulfamoylphenyl)benzamide

C16H16ClN3O4S — CID 10362460

IUPAC5-chloro-2-(propanoylamino)-N-(4-sulfamoylphenyl)benzamide
SMILESCCC(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H16ClN3O4S/c1-2-15(21)20-14-8-3-10(17)9-13(14)16(22)19-11-4-6-12(7-5-11)25(18,23)24/h3-9H,2H2,1H3,(H,19,22)(H,20,21)(H2,18,23,24)
InChIKeyGJHYOYPNPPXACC-UHFFFAOYSA-N
MW381.84 g/mol
LogP2.59
Rot. Bonds5

About 5-chloro-2-(propanoylamino)-N-(4-sulfamoylphenyl)benzamide

5-chloro-2-(propanoylamino)-N-(4-sulfamoylphenyl)benzamide (PubChem CID 10362460) has the molecular formula C16H16ClN3O4S and a molecular weight of 381.84 g/mol. Its IUPAC name is 5-chloro-2-(propanoylamino)-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(propanoylamino)-N-(4-sulfamoylphenyl)benzamide
PubChem CID10362460
Molecular FormulaC16H16ClN3O4S
Molecular Weight381.84 g/mol
Exact Mass381.06
IUPAC Name5-chloro-2-(propanoylamino)-N-(4-sulfamoylphenyl)benzamide
SMILESCCC(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H16ClN3O4S/c1-2-15(21)20-14-8-3-10(17)9-13(14)16(22)19-11-4-6-12(7-5-11)25(18,23)24/h3-9H,2H2,1H3,(H,19,22)(H,20,21)(H2,18,23,24)
InChIKeyGJHYOYPNPPXACC-UHFFFAOYSA-N
XLogP2.59
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butanoylamino)-5-methyl-N-(4-sulfamoylphenyl)benzamide
CID 10452103
2-methyl-N-[4-(propanoylamino)phenyl]-5-sulfamoylbenzamide
CID 55846368
5-chloro-2-[[4-(propanoylamino)benzoyl]amino]benzoic acid
CID 888716
5-chloro-N-(4-chlorophenyl)-2-(ethylamino)benzamide
CID 63501473
N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 61130694
ethyl 4-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 15872311
N-(2-methyl-4-sulfamoylphenyl)propanamide
CID 43133967
5-chloro-2-(ethylamino)-N-(4-methylphenyl)benzamide
CID 62165915
N-(4-carbamoylphenyl)-5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 22646280
2-[(2,4-dichlorophenyl)methoxy]-N-(4-sulfamoylphenyl)benzamide
CID 2123312
2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide
CID 36704856
N-(2,4-dichlorophenyl)propanamide
CID 923083

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(propanoylamino)-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 5-chloro-2-(propanoylamino)-N-(4-sulfamoylphenyl)benzamide (CID 10362460) is 5-chloro-2-(propanoylamino)-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 5-chloro-2-(propanoylamino)-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 5-chloro-2-(propanoylamino)-N-(4-sulfamoylphenyl)benzamide is CCC(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 5-chloro-2-(propanoylamino)-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is GJHYOYPNPPXACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4S/c1-2-15(21)20-14-8-3-10(17)9-13(14)16(22)19-11-4-6-12(7-5-11)25(18,23)24/h3-9H,2H2,1H3,(H,19,22)(H,20,21)(H2,18,23,24).
What are the key properties of 5-chloro-2-(propanoylamino)-N-(4-sulfamoylphenyl)benzamide?
5-chloro-2-(propanoylamino)-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 381.84 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(propanoylamino)-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 10362460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).