4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide

C15H18N2O4S2 — CID 1018257

IUPAC4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H18N2O4S2/c1-12-2-6-15(7-3-12)23(20,21)17-11-10-13-4-8-14(9-5-13)22(16,18)19/h2-9,17H,10-11H2,1H3,(H2,16,18,19)
InChIKeyYLZSJBGBKOINMC-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.16
Rot. Bonds6

About 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide

4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide (PubChem CID 1018257) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
PubChem CID1018257
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC Name4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H18N2O4S2/c1-12-2-6-15(7-3-12)23(20,21)17-11-10-13-4-8-14(9-5-13)22(16,18)19/h2-9,17H,10-11H2,1H3,(H2,16,18,19)
InChIKeyYLZSJBGBKOINMC-UHFFFAOYSA-N
XLogP1.16
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide (CID 1018257) is 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
The InChIKey is YLZSJBGBKOINMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-12-2-6-15(7-3-12)23(20,21)17-11-10-13-4-8-14(9-5-13)22(16,18)19/h2-9,17H,10-11H2,1H3,(H2,16,18,19).
What are the key properties of 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide has a molecular weight of 354.45 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 1018257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).