N-methyl-4-[4-(methylsulfamoyl)phenyl]sulfanylbenzenesulfonamide

C14H16N2O4S3 — CID 1332132

IUPACN-methyl-4-[4-(methylsulfamoyl)phenyl]sulfanylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Sc2ccc(S(=O)(=O)NC)cc2)cc1
InChIInChI=1S/C14H16N2O4S3/c1-15-22(17,18)13-7-3-11(4-8-13)21-12-5-9-14(10-6-12)23(19,20)16-2/h3-10,15-16H,1-2H3
InChIKeyNYBRORIJYIWXMR-UHFFFAOYSA-N
MW372.49 g/mol
LogP1.65
Rot. Bonds6

About N-methyl-4-[4-(methylsulfamoyl)phenyl]sulfanylbenzenesulfonamide

N-methyl-4-[4-(methylsulfamoyl)phenyl]sulfanylbenzenesulfonamide (PubChem CID 1332132) has the molecular formula C14H16N2O4S3 and a molecular weight of 372.49 g/mol. Its IUPAC name is N-methyl-4-[4-(methylsulfamoyl)phenyl]sulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[4-(methylsulfamoyl)phenyl]sulfanylbenzenesulfonamide
PubChem CID1332132
Molecular FormulaC14H16N2O4S3
Molecular Weight372.49 g/mol
Exact Mass372.03
IUPAC NameN-methyl-4-[4-(methylsulfamoyl)phenyl]sulfanylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Sc2ccc(S(=O)(=O)NC)cc2)cc1
InChIInChI=1S/C14H16N2O4S3/c1-15-22(17,18)13-7-3-11(4-8-13)21-12-5-9-14(10-6-12)23(19,20)16-2/h3-10,15-16H,1-2H3
InChIKeyNYBRORIJYIWXMR-UHFFFAOYSA-N
XLogP1.65
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(methylsulfamoyl)phenyl]sulfanylbenzenesulfonamide?
The IUPAC name of N-methyl-4-[4-(methylsulfamoyl)phenyl]sulfanylbenzenesulfonamide (CID 1332132) is N-methyl-4-[4-(methylsulfamoyl)phenyl]sulfanylbenzenesulfonamide.
What is the SMILES notation for N-methyl-4-[4-(methylsulfamoyl)phenyl]sulfanylbenzenesulfonamide?
The canonical SMILES for N-methyl-4-[4-(methylsulfamoyl)phenyl]sulfanylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Sc2ccc(S(=O)(=O)NC)cc2)cc1.
What is the InChIKey of N-methyl-4-[4-(methylsulfamoyl)phenyl]sulfanylbenzenesulfonamide?
The InChIKey is NYBRORIJYIWXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S3/c1-15-22(17,18)13-7-3-11(4-8-13)21-12-5-9-14(10-6-12)23(19,20)16-2/h3-10,15-16H,1-2H3.
What are the key properties of N-methyl-4-[4-(methylsulfamoyl)phenyl]sulfanylbenzenesulfonamide?
N-methyl-4-[4-(methylsulfamoyl)phenyl]sulfanylbenzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(methylsulfamoyl)phenyl]sulfanylbenzenesulfonamide is sourced from PubChem (CID 1332132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).