2-[(4-chlorophenyl)methylsulfonylamino]-N-propylbenzamide

C17H19ClN2O3S — CID 17321566

IUPAC2-[(4-chlorophenyl)methylsulfonylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-2-11-19-17(21)15-5-3-4-6-16(15)20-24(22,23)12-13-7-9-14(18)10-8-13/h3-10,20H,2,11-12H2,1H3,(H,19,21)
InChIKeyNQAIROZSDJPXNA-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.42
Rot. Bonds7

About 2-[(4-chlorophenyl)methylsulfonylamino]-N-propylbenzamide

2-[(4-chlorophenyl)methylsulfonylamino]-N-propylbenzamide (PubChem CID 17321566) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonylamino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonylamino]-N-propylbenzamide
PubChem CID17321566
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-[(4-chlorophenyl)methylsulfonylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-2-11-19-17(21)15-5-3-4-6-16(15)20-24(22,23)12-13-7-9-14(18)10-8-13/h3-10,20H,2,11-12H2,1H3,(H,19,21)
InChIKeyNQAIROZSDJPXNA-UHFFFAOYSA-N
XLogP3.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methylsulfonylamino]-N-propylbenzamide
CID 17321694
2-[(4-chlorophenyl)methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 18891430
2-[(4-chlorophenyl)methylsulfonylamino]benzamide
CID 2227897
2-[(3-nitrophenyl)methylsulfonylamino]-N-propylbenzamide
CID 28635564
N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide
CID 2448345
2-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-propylbenzamide
CID 126328223
N-[2-(ethylamino)ethyl]-2-(ethylsulfonylamino)benzamide
CID 119508738
2-(ethylsulfonylamino)-N-(2-methoxyethyl)benzamide
CID 47141588
2-hydrazinyl-N-propylbenzamide
CID 62238054
1-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)methanesulfonamide
CID 18891408
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126412821
1-(4-chlorophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide
CID 18891284

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonylamino]-N-propylbenzamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonylamino]-N-propylbenzamide (CID 17321566) is 2-[(4-chlorophenyl)methylsulfonylamino]-N-propylbenzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonylamino]-N-propylbenzamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonylamino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonylamino]-N-propylbenzamide?
The InChIKey is NQAIROZSDJPXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-2-11-19-17(21)15-5-3-4-6-16(15)20-24(22,23)12-13-7-9-14(18)10-8-13/h3-10,20H,2,11-12H2,1H3,(H,19,21).
What are the key properties of 2-[(4-chlorophenyl)methylsulfonylamino]-N-propylbenzamide?
2-[(4-chlorophenyl)methylsulfonylamino]-N-propylbenzamide has a molecular weight of 366.87 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonylamino]-N-propylbenzamide is sourced from PubChem (CID 17321566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).