4-methyl-N-(4-sulfamoylphenyl)benzenesulfonamide

C13H14N2O4S2 — CID 774518

IUPAC4-methyl-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C13H14N2O4S2/c1-10-2-6-13(7-3-10)21(18,19)15-11-4-8-12(9-5-11)20(14,16)17/h2-9,15H,1H3,(H2,14,16,17)
InChIKeyPIDIMIVLSCDEIN-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.44
Rot. Bonds4

About 4-methyl-N-(4-sulfamoylphenyl)benzenesulfonamide

4-methyl-N-(4-sulfamoylphenyl)benzenesulfonamide (PubChem CID 774518) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-methyl-N-(4-sulfamoylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-sulfamoylphenyl)benzenesulfonamide
PubChem CID774518
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name4-methyl-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C13H14N2O4S2/c1-10-2-6-13(7-3-10)21(18,19)15-11-4-8-12(9-5-11)20(14,16)17/h2-9,15H,1H3,(H2,14,16,17)
InChIKeyPIDIMIVLSCDEIN-UHFFFAOYSA-N
XLogP1.44
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-sulfamoylphenyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-sulfamoylphenyl)benzenesulfonamide (CID 774518) is 4-methyl-N-(4-sulfamoylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-sulfamoylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-sulfamoylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-sulfamoylphenyl)benzenesulfonamide?
The InChIKey is PIDIMIVLSCDEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-10-2-6-13(7-3-10)21(18,19)15-11-4-8-12(9-5-11)20(14,16)17/h2-9,15H,1H3,(H2,14,16,17).
What are the key properties of 4-methyl-N-(4-sulfamoylphenyl)benzenesulfonamide?
4-methyl-N-(4-sulfamoylphenyl)benzenesulfonamide has a molecular weight of 326.40 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-sulfamoylphenyl)benzenesulfonamide is sourced from PubChem (CID 774518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).