2-[(4-chlorophenyl)sulfonylamino]-N,N-diethylbenzamide

C17H19ClN2O3S — CID 34838079

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-3-20(4-2)17(21)15-7-5-6-8-16(15)19-24(22,23)14-11-9-13(18)10-12-14/h5-12,19H,3-4H2,1-2H3
InChIKeyUMSQZABTKSKQBP-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.62
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonylamino]-N,N-diethylbenzamide

2-[(4-chlorophenyl)sulfonylamino]-N,N-diethylbenzamide (PubChem CID 34838079) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N,N-diethylbenzamide
PubChem CID34838079
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-3-20(4-2)17(21)15-7-5-6-8-16(15)19-24(22,23)14-11-9-13(18)10-12-14/h5-12,19H,3-4H2,1-2H3
InChIKeyUMSQZABTKSKQBP-UHFFFAOYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
2-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)benzamide
CID 11749023
[2-oxo-2-(propylamino)ethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 2508682
2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 38743723
2-[(4-chlorophenyl)sulfonylamino]-N-(2-hydroxy-2-phenylethyl)benzamide
CID 55527722
2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 1325152
2-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68687615
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 16521702
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
2-[(4-chlorophenyl)sulfonylamino]-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 55620142
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
(1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 42900642

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N,N-diethylbenzamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N,N-diethylbenzamide (CID 34838079) is 2-[(4-chlorophenyl)sulfonylamino]-N,N-diethylbenzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N,N-diethylbenzamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N,N-diethylbenzamide?
The InChIKey is UMSQZABTKSKQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-3-20(4-2)17(21)15-7-5-6-8-16(15)19-24(22,23)14-11-9-13(18)10-12-14/h5-12,19H,3-4H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N,N-diethylbenzamide?
2-[(4-chlorophenyl)sulfonylamino]-N,N-diethylbenzamide has a molecular weight of 366.87 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N,N-diethylbenzamide is sourced from PubChem (CID 34838079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).