4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide

C14H14N2O5S2 — CID 18286126

IUPAC4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide
SMILESCS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C14H14N2O5S2/c1-22(18,19)13-4-2-3-11(9-13)16-23(20,21)12-7-5-10(6-8-12)14(15)17/h2-9,16H,1H3,(H2,15,17)
InChIKeyMCWSSGAQTFRFBZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.99
Rot. Bonds5

About 4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide

4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide (PubChem CID 18286126) has the molecular formula C14H14N2O5S2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide
PubChem CID18286126
Molecular FormulaC14H14N2O5S2
Molecular Weight354.41 g/mol
Exact Mass354.03
IUPAC Name4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide
SMILESCS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C14H14N2O5S2/c1-22(18,19)13-4-2-3-11(9-13)16-23(20,21)12-7-5-10(6-8-12)14(15)17/h2-9,16H,1H3,(H2,15,17)
InChIKeyMCWSSGAQTFRFBZ-UHFFFAOYSA-N
XLogP0.99
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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

4-[(3-methylsulfonylanilino)methyl]benzamide
CID 60713201
N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 8842839
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 18084674
4-methylsulfonylbenzamide;hydrochloride
CID 71184405
3-methylsulfonyl-N-phenylbenzenesulfonamide
CID 6461889
4-[(3-amino-4-fluorophenyl)sulfamoyl]benzamide
CID 43604881
5-[(3-methylsulfonylphenyl)sulfonylamino]benzene-1,3-disulfonate
CID 176777217
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide
CID 51263313
N-[2-methoxy-4-[(3-methylsulfonylphenyl)sulfamoyl]phenyl]acetamide
CID 8842812

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide (CID 18286126) is 4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide is CS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)c1.
What is the InChIKey of 4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide?
The InChIKey is MCWSSGAQTFRFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S2/c1-22(18,19)13-4-2-3-11(9-13)16-23(20,21)12-7-5-10(6-8-12)14(15)17/h2-9,16H,1H3,(H2,15,17).
What are the key properties of 4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide?
4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 18286126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).