N-(2-benzylsulfanylethyl)-4-chlorobenzenesulfonamide

C15H16ClNO2S2 — CID 2274560

IUPACN-(2-benzylsulfanylethyl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NCCSCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO2S2/c16-14-6-8-15(9-7-14)21(18,19)17-10-11-20-12-13-4-2-1-3-5-13/h1-9,17H,10-12H2
InChIKeySLNUPDGWTCRALT-UHFFFAOYSA-N
MW341.89 g/mol
LogP3.55
Rot. Bonds7

About N-(2-benzylsulfanylethyl)-4-chlorobenzenesulfonamide

N-(2-benzylsulfanylethyl)-4-chlorobenzenesulfonamide (PubChem CID 2274560) has the molecular formula C15H16ClNO2S2 and a molecular weight of 341.89 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyl)-4-chlorobenzenesulfonamide
PubChem CID2274560
Molecular FormulaC15H16ClNO2S2
Molecular Weight341.89 g/mol
Exact Mass341.03
IUPAC NameN-(2-benzylsulfanylethyl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NCCSCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO2S2/c16-14-6-8-15(9-7-14)21(18,19)17-10-11-20-12-13-4-2-1-3-5-13/h1-9,17H,10-12H2
InChIKeySLNUPDGWTCRALT-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylethyl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(2-benzylsulfanylethyl)-4-chlorobenzenesulfonamide (CID 2274560) is N-(2-benzylsulfanylethyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(2-benzylsulfanylethyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(2-benzylsulfanylethyl)-4-chlorobenzenesulfonamide is O=S(=O)(NCCSCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-benzylsulfanylethyl)-4-chlorobenzenesulfonamide?
The InChIKey is SLNUPDGWTCRALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S2/c16-14-6-8-15(9-7-14)21(18,19)17-10-11-20-12-13-4-2-1-3-5-13/h1-9,17H,10-12H2.
What are the key properties of N-(2-benzylsulfanylethyl)-4-chlorobenzenesulfonamide?
N-(2-benzylsulfanylethyl)-4-chlorobenzenesulfonamide has a molecular weight of 341.89 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylethyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 2274560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).