4-[(4-chlorophenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide

C19H22ClN3O4S — CID 46819760

IUPAC4-[(4-chlorophenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)C(C)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O4S/c1-3-12-21-18(24)13(2)22-19(25)14-4-10-17(11-5-14)28(26,27)23-16-8-6-15(20)7-9-16/h4-11,13,23H,3,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyYKNFEZXGFLBOQH-UHFFFAOYSA-N
MW423.92 g/mol
LogP2.79
Rot. Bonds8

About 4-[(4-chlorophenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide

4-[(4-chlorophenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide (PubChem CID 46819760) has the molecular formula C19H22ClN3O4S and a molecular weight of 423.92 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
PubChem CID46819760
Molecular FormulaC19H22ClN3O4S
Molecular Weight423.92 g/mol
Exact Mass423.10
IUPAC Name4-[(4-chlorophenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)C(C)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O4S/c1-3-12-21-18(24)13(2)22-19(25)14-4-10-17(11-5-14)28(26,27)23-16-8-6-15(20)7-9-16/h4-11,13,23H,3,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyYKNFEZXGFLBOQH-UHFFFAOYSA-N
XLogP2.79
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]propanoate
CID 71516349
4-(2-cyanoethylsulfamoyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8742825
4-chloro-N-[1-[2-(2-methylpropanoylamino)ethylamino]-1-oxopropan-2-yl]benzamide
CID 112767742
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8733150
N-(4-butanoylphenyl)-4-chlorobenzenesulfonamide
CID 3727676
4-chloro-N-[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]benzamide
CID 3915071
propyl (2S)-2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]propanoate
CID 71516347
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 46538107
4-chloro-N-[1-[2-(methylamino)ethylamino]-1-oxopropan-2-yl]benzamide;hydrochloride
CID 119503902
N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 119408578
4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide
CID 94621798
4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide
CID 109057932

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide (CID 46819760) is 4-[(4-chlorophenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide is CCCNC(=O)C(C)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The InChIKey is YKNFEZXGFLBOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4S/c1-3-12-21-18(24)13(2)22-19(25)14-4-10-17(11-5-14)28(26,27)23-16-8-6-15(20)7-9-16/h4-11,13,23H,3,12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 4-[(4-chlorophenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
4-[(4-chlorophenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide has a molecular weight of 423.92 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 46819760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).