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

C14H16N2O4S2 — CID 2525511

IUPAC4-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H16N2O4S2/c1-11-2-6-14(7-3-11)22(19,20)16-10-12-4-8-13(9-5-12)21(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
InChIKeyDNYFCUFOECQFGV-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.12
Rot. Bonds5

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

4-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide (PubChem CID 2525511) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
PubChem CID2525511
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Name4-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H16N2O4S2/c1-11-2-6-14(7-3-11)22(19,20)16-10-12-4-8-13(9-5-12)21(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
InChIKeyDNYFCUFOECQFGV-UHFFFAOYSA-N
XLogP1.12
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.12
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)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide (CID 2525511) is 4-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
The InChIKey is DNYFCUFOECQFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-11-2-6-14(7-3-11)22(19,20)16-10-12-4-8-13(9-5-12)21(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18).
What are the key properties of 4-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
4-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide has a molecular weight of 340.43 g/mol, XLogP of 1.12, 5 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)methyl]benzenesulfonamide is sourced from PubChem (CID 2525511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).