4-chloro-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]benzamide

C18H21ClN2O3S — CID 169370448

IUPAC4-chloro-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCN(CC)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C18H21ClN2O3S/c1-4-21(5-2)18(22)14-8-11-16(19)17(12-14)20-25(23,24)15-9-6-13(3)7-10-15/h6-12,20H,4-5H2,1-3H3
InChIKeyRGLMGFXWXSCEIO-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.93
Rot. Bonds6

About 4-chloro-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]benzamide

4-chloro-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 169370448) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID169370448
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name4-chloro-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCN(CC)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C18H21ClN2O3S/c1-4-21(5-2)18(22)14-8-11-16(19)17(12-14)20-25(23,24)15-9-6-13(3)7-10-15/h6-12,20H,4-5H2,1-3H3
InChIKeyRGLMGFXWXSCEIO-UHFFFAOYSA-N
XLogP3.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide
CID 47946585
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 26583597
N-ethyl-4-[(4-methylphenyl)sulfamoyl]-N-(2-methylprop-2-enyl)benzamide
CID 29265946
N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169373284
4-[(2,5-dichlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676923
4-(diethylamino)-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 50767053
[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]boronic acid
CID 169370367
N-[2-chloro-5-(diethylcarbamoyl)phenyl]-N',N'-diethyloxamide
CID 50961889
3-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-4-piperazin-1-ylbenzamide
CID 46333292
N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99950233
N,N-diethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 109065077
4-[(2-chlorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 9046795

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 4-chloro-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]benzamide (CID 169370448) is 4-chloro-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 4-chloro-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 4-chloro-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]benzamide is CCN(CC)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 4-chloro-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is RGLMGFXWXSCEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-4-21(5-2)18(22)14-8-11-16(19)17(12-14)20-25(23,24)15-9-6-13(3)7-10-15/h6-12,20H,4-5H2,1-3H3.
What are the key properties of 4-chloro-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
4-chloro-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 380.90 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 169370448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).