N-benzylsulfanyl-N-methylbenzenesulfonamide

C14H15NO2S2 — CID 154088581

IUPACN-benzylsulfanyl-N-methylbenzenesulfonamide
SMILESCN(SCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15NO2S2/c1-15(18-12-13-8-4-2-5-9-13)19(16,17)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyGTDJVQSCXDIYME-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.16
Rot. Bonds5

About N-benzylsulfanyl-N-methylbenzenesulfonamide

N-benzylsulfanyl-N-methylbenzenesulfonamide (PubChem CID 154088581) has the molecular formula C14H15NO2S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-benzylsulfanyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzylsulfanyl-N-methylbenzenesulfonamide
PubChem CID154088581
Molecular FormulaC14H15NO2S2
Molecular Weight293.41 g/mol
Exact Mass293.05
IUPAC NameN-benzylsulfanyl-N-methylbenzenesulfonamide
SMILESCN(SCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15NO2S2/c1-15(18-12-13-8-4-2-5-9-13)19(16,17)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyGTDJVQSCXDIYME-UHFFFAOYSA-N
XLogP3.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzylsulfanyl-N-methylbenzenesulfonamide?
The IUPAC name of N-benzylsulfanyl-N-methylbenzenesulfonamide (CID 154088581) is N-benzylsulfanyl-N-methylbenzenesulfonamide.
What is the SMILES notation for N-benzylsulfanyl-N-methylbenzenesulfonamide?
The canonical SMILES for N-benzylsulfanyl-N-methylbenzenesulfonamide is CN(SCc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-benzylsulfanyl-N-methylbenzenesulfonamide?
The InChIKey is GTDJVQSCXDIYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S2/c1-15(18-12-13-8-4-2-5-9-13)19(16,17)14-10-6-3-7-11-14/h2-11H,12H2,1H3.
What are the key properties of N-benzylsulfanyl-N-methylbenzenesulfonamide?
N-benzylsulfanyl-N-methylbenzenesulfonamide has a molecular weight of 293.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylsulfanyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 154088581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).