3-acetamido-4-(4-chlorophenyl)sulfonyl-N-methylbenzamide

C16H15ClN2O4S — CID 4296219

IUPAC3-acetamido-4-(4-chlorophenyl)sulfonyl-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)c(NC(C)=O)c1
InChIInChI=1S/C16H15ClN2O4S/c1-10(20)19-14-9-11(16(21)18-2)3-8-15(14)24(22,23)13-6-4-12(17)5-7-13/h3-9H,1-2H3,(H,18,21)(H,19,20)
InChIKeyLMBYJAOTEVFDON-UHFFFAOYSA-N
MW366.83 g/mol
LogP2.49
Rot. Bonds4

About 3-acetamido-4-(4-chlorophenyl)sulfonyl-N-methylbenzamide

3-acetamido-4-(4-chlorophenyl)sulfonyl-N-methylbenzamide (PubChem CID 4296219) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is 3-acetamido-4-(4-chlorophenyl)sulfonyl-N-methylbenzamide.

Molecular Properties

Compound Name3-acetamido-4-(4-chlorophenyl)sulfonyl-N-methylbenzamide
PubChem CID4296219
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC Name3-acetamido-4-(4-chlorophenyl)sulfonyl-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)c(NC(C)=O)c1
InChIInChI=1S/C16H15ClN2O4S/c1-10(20)19-14-9-11(16(21)18-2)3-8-15(14)24(22,23)13-6-4-12(17)5-7-13/h3-9H,1-2H3,(H,18,21)(H,19,20)
InChIKeyLMBYJAOTEVFDON-UHFFFAOYSA-N
XLogP2.49
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-4-(methylsulfonyl)benzamide
CID 2747545
N-(4-chlorophenyl)-4-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 5082268
6-(3-chloro-6,11,11-trioxobenzo[b][1,4]benzothiazepin-5-yl)-N-hydroxyhexanamide
CID 11848286
N-[3-(dimethylamino)propyl]-5-methyl-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 57383406
N-[(4-chlorophenyl)methyl]-5-methyl-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 57383411
N-[(3-chlorophenyl)methyl]-5-methyl-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 57383413
(11S)-N-[(4-chlorophenyl)methyl]-5-methyl-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 57383420
N-(4-chlorophenyl)-4-(dimethylsulfamoyl)benzamide
CID 877170
N-tert-butyl-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzamide
CID 2192292
3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
CID 2194290
N-(2-chloro-5-methylsulfonylphenyl)-4-methylsulfonylbenzamide
CID 2521659
3-(Acetylamino)-4-[(4-chlorophenyl)sulfonyl]benzoic acid
CID 3244183

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-(4-chlorophenyl)sulfonyl-N-methylbenzamide?
The IUPAC name of 3-acetamido-4-(4-chlorophenyl)sulfonyl-N-methylbenzamide (CID 4296219) is 3-acetamido-4-(4-chlorophenyl)sulfonyl-N-methylbenzamide.
What is the SMILES notation for 3-acetamido-4-(4-chlorophenyl)sulfonyl-N-methylbenzamide?
The canonical SMILES for 3-acetamido-4-(4-chlorophenyl)sulfonyl-N-methylbenzamide is CNC(=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)c(NC(C)=O)c1.
What is the InChIKey of 3-acetamido-4-(4-chlorophenyl)sulfonyl-N-methylbenzamide?
The InChIKey is LMBYJAOTEVFDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c1-10(20)19-14-9-11(16(21)18-2)3-8-15(14)24(22,23)13-6-4-12(17)5-7-13/h3-9H,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 3-acetamido-4-(4-chlorophenyl)sulfonyl-N-methylbenzamide?
3-acetamido-4-(4-chlorophenyl)sulfonyl-N-methylbenzamide has a molecular weight of 366.83 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-(4-chlorophenyl)sulfonyl-N-methylbenzamide is sourced from PubChem (CID 4296219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).