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

C16H18N2O3S — CID 19062594

IUPACN,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C16H18N2O3S/c1-11-4-8-14(9-5-11)22(20,21)18-15-10-13(16(19)17-3)7-6-12(15)2/h4-10,18H,1-3H3,(H,17,19)
InChIKeySAVOKCAATWYRND-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.46
Rot. Bonds4

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

N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 19062594) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID19062594
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C16H18N2O3S/c1-11-4-8-14(9-5-11)22(20,21)18-15-10-13(16(19)17-3)7-6-12(15)2/h4-10,18H,1-3H3,(H,17,19)
InChIKeySAVOKCAATWYRND-UHFFFAOYSA-N
XLogP2.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 41465640
4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 169371323
N-(4-iodo-2-methylphenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062619
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 93487088
N-(3-chloro-4-fluorophenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062615
4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 27187010
methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate
CID 24510050
3-(benzenesulfonamido)-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 99955648
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
CID 55705717
ethane;methyl 3,4-bis[(4-methylphenyl)sulfonylamino]benzoate
CID 144649558
3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2341479
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide (CID 19062594) is N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide is CNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is SAVOKCAATWYRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11-4-8-14(9-5-11)22(20,21)18-15-10-13(16(19)17-3)7-6-12(15)2/h4-10,18H,1-3H3,(H,17,19).
What are the key properties of N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 318.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 19062594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).