N-benzyl-4-methylsulfanylbenzenesulfonamide

C14H15NO2S2 — CID 967740

IUPACN-benzyl-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C14H15NO2S2/c1-18-13-7-9-14(10-8-13)19(16,17)15-11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3
InChIKeyOGUXCYZBRVMTGY-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.89
Rot. Bonds5

About N-benzyl-4-methylsulfanylbenzenesulfonamide

N-benzyl-4-methylsulfanylbenzenesulfonamide (PubChem CID 967740) has the molecular formula C14H15NO2S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-benzyl-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methylsulfanylbenzenesulfonamide
PubChem CID967740
Molecular FormulaC14H15NO2S2
Molecular Weight293.41 g/mol
Exact Mass293.05
IUPAC NameN-benzyl-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C14H15NO2S2/c1-18-13-7-9-14(10-8-13)19(16,17)15-11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3
InChIKeyOGUXCYZBRVMTGY-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-methylsulfanylbenzenesulfonamide (CID 967740) is N-benzyl-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-methylsulfanylbenzenesulfonamide is CSc1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-methylsulfanylbenzenesulfonamide?
The InChIKey is OGUXCYZBRVMTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S2/c1-18-13-7-9-14(10-8-13)19(16,17)15-11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3.
What are the key properties of N-benzyl-4-methylsulfanylbenzenesulfonamide?
N-benzyl-4-methylsulfanylbenzenesulfonamide has a molecular weight of 293.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 967740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).