4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide

C15H14N2O4S — CID 90126567

IUPAC4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14N2O4S/c1-16-14(18)11-7-9-12(10-8-11)15(19)17-22(20,21)13-5-3-2-4-6-13/h2-10H,1H3,(H,16,18)(H,17,19)
InChIKeyHBIOMDDJZSLUPS-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.16
Rot. Bonds4

About 4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide

4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide (PubChem CID 90126567) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
PubChem CID90126567
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14N2O4S/c1-16-14(18)11-7-9-12(10-8-11)15(19)17-22(20,21)13-5-3-2-4-6-13/h2-10H,1H3,(H,16,18)(H,17,19)
InChIKeyHBIOMDDJZSLUPS-UHFFFAOYSA-N
XLogP1.16
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(benzenesulfonyl)benzamide
CID 12876556
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 54564954
N-(benzenesulfonyl)-4-(2,4,4-trimethylpentan-2-yl)benzamide
CID 22356861
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
lithium;hydride;N-methylbenzamide
CID 173287348
N-methylbenzamide
CID 11954
N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
CID 27299317
N-methylbenzamide;sulfuryl dichloride
CID 158851255
N-(benzenesulfonyl)-3,4-dichlorobenzamide
CID 47108670
3-(benzenesulfonylcarbamoylamino)-N-methylbenzamide
CID 22564876
N-methylbenzamide;molecular hydrogen
CID 142972595

Frequently Asked Questions

What is the IUPAC name of 4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide (CID 90126567) is 4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide is CNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide?
The InChIKey is HBIOMDDJZSLUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-16-14(18)11-7-9-12(10-8-11)15(19)17-22(20,21)13-5-3-2-4-6-13/h2-10H,1H3,(H,16,18)(H,17,19).
What are the key properties of 4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide?
4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide has a molecular weight of 318.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 90126567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).