3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide

C14H14N2O5S2 — CID 7565696

IUPAC3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C14H14N2O5S2/c1-22(18,19)13-4-2-3-10(9-13)14(17)16-11-5-7-12(8-6-11)23(15,20)21/h2-9H,1H3,(H,16,17)(H2,15,20,21)
InChIKeyXTQOMYGHBPECQS-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.99
Rot. Bonds4

About 3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide

3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide (PubChem CID 7565696) has the molecular formula C14H14N2O5S2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
PubChem CID7565696
Molecular FormulaC14H14N2O5S2
Molecular Weight354.41 g/mol
Exact Mass354.03
IUPAC Name3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C14H14N2O5S2/c1-22(18,19)13-4-2-3-10(9-13)14(17)16-11-5-7-12(8-6-11)23(15,20)21/h2-9H,1H3,(H,16,17)(H2,15,20,21)
InChIKeyXTQOMYGHBPECQS-UHFFFAOYSA-N
XLogP0.99
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide
CID 115661329
3-(methylsulfanylmethyl)-N-(4-sulfamoylphenyl)benzamide
CID 9035038
N-(3-iodophenyl)-3-methylsulfonylbenzamide
CID 16545735
3-methoxy-N-(4-methylsulfonylphenyl)benzamide
CID 4786053
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide
CID 64792707
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
3-[(3-sulfamoylbenzoyl)amino]benzoic acid
CID 834338
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide
CID 2322744
4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide
CID 60605662

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide (CID 7565696) is 3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide is CS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is XTQOMYGHBPECQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S2/c1-22(18,19)13-4-2-3-10(9-13)14(17)16-11-5-7-12(8-6-11)23(15,20)21/h2-9H,1H3,(H,16,17)(H2,15,20,21).
What are the key properties of 3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide?
3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 354.41 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 7565696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).