4-chloro-N-(2-phenylsulfanylethyl)benzenesulfonamide

C14H14ClNO2S2 — CID 2275407

IUPAC4-chloro-N-(2-phenylsulfanylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCSc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO2S2/c15-12-6-8-14(9-7-12)20(17,18)16-10-11-19-13-4-2-1-3-5-13/h1-9,16H,10-11H2
InChIKeyHPZPBYXLYYWSBR-UHFFFAOYSA-N
MW327.86 g/mol
LogP3.41
Rot. Bonds6

About 4-chloro-N-(2-phenylsulfanylethyl)benzenesulfonamide

4-chloro-N-(2-phenylsulfanylethyl)benzenesulfonamide (PubChem CID 2275407) has the molecular formula C14H14ClNO2S2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 4-chloro-N-(2-phenylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-phenylsulfanylethyl)benzenesulfonamide
PubChem CID2275407
Molecular FormulaC14H14ClNO2S2
Molecular Weight327.86 g/mol
Exact Mass327.02
IUPAC Name4-chloro-N-(2-phenylsulfanylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCSc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO2S2/c15-12-6-8-14(9-7-12)20(17,18)16-10-11-19-13-4-2-1-3-5-13/h1-9,16H,10-11H2
InChIKeyHPZPBYXLYYWSBR-UHFFFAOYSA-N
XLogP3.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 53.41
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 4-chloro-N-(2-phenylsulfanylethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-phenylsulfanylethyl)benzenesulfonamide (CID 2275407) is 4-chloro-N-(2-phenylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-phenylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-phenylsulfanylethyl)benzenesulfonamide is O=S(=O)(NCCSc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-phenylsulfanylethyl)benzenesulfonamide?
The InChIKey is HPZPBYXLYYWSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S2/c15-12-6-8-14(9-7-12)20(17,18)16-10-11-19-13-4-2-1-3-5-13/h1-9,16H,10-11H2.
What are the key properties of 4-chloro-N-(2-phenylsulfanylethyl)benzenesulfonamide?
4-chloro-N-(2-phenylsulfanylethyl)benzenesulfonamide has a molecular weight of 327.86 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-phenylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 2275407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).