4-[benzenesulfonyl(methyl)amino]-N,3-dimethylbenzamide

C16H18N2O3S — CID 50946608

IUPAC4-[benzenesulfonyl(methyl)amino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C16H18N2O3S/c1-12-11-13(16(19)17-2)9-10-15(12)18(3)22(20,21)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,17,19)
InChIKeyMFIGRVNYRKLXIF-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.18
Rot. Bonds4

About 4-[benzenesulfonyl(methyl)amino]-N,3-dimethylbenzamide

4-[benzenesulfonyl(methyl)amino]-N,3-dimethylbenzamide (PubChem CID 50946608) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N,3-dimethylbenzamide
PubChem CID50946608
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C16H18N2O3S/c1-12-11-13(16(19)17-2)9-10-15(12)18(3)22(20,21)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,17,19)
InChIKeyMFIGRVNYRKLXIF-UHFFFAOYSA-N
XLogP2.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methyl-N-(1-phenylethyl)benzamide
CID 132672717
3-[benzenesulfonyl(methyl)amino]-4-methylbenzoic acid
CID 100552976
3-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 53278713
4-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methylbenzoic acid
CID 100552827
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-N-methylbenzenesulfonamide
CID 142017251
4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methylbenzoic acid
CID 100553005
4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
CID 90126567
4-[benzenesulfonyl(methyl)amino]benzoic acid
CID 804306
2-[benzenesulfonyl(methyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 92673178

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N,3-dimethylbenzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N,3-dimethylbenzamide (CID 50946608) is 4-[benzenesulfonyl(methyl)amino]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N,3-dimethylbenzamide is CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N,3-dimethylbenzamide?
The InChIKey is MFIGRVNYRKLXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-12-11-13(16(19)17-2)9-10-15(12)18(3)22(20,21)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,17,19).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N,3-dimethylbenzamide?
4-[benzenesulfonyl(methyl)amino]-N,3-dimethylbenzamide has a molecular weight of 318.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N,3-dimethylbenzamide is sourced from PubChem (CID 50946608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).