2-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide

C15H16ClNO3S2 — CID 97416946

IUPAC2-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide
SMILESCSc1ccc([C@@H](O)CNS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H16ClNO3S2/c1-21-12-8-6-11(7-9-12)14(18)10-17-22(19,20)15-5-3-2-4-13(15)16/h2-9,14,17-18H,10H2,1H3/t14-/m0/s1
InChIKeyISGWZSHJLCGJQT-AWEZNQCLSA-N
MW357.88 g/mol
LogP3.07
Rot. Bonds6

About 2-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide

2-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide (PubChem CID 97416946) has the molecular formula C15H16ClNO3S2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide
PubChem CID97416946
Molecular FormulaC15H16ClNO3S2
Molecular Weight357.88 g/mol
Exact Mass357.03
IUPAC Name2-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide
SMILESCSc1ccc([C@@H](O)CNS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H16ClNO3S2/c1-21-12-8-6-11(7-9-12)14(18)10-17-22(19,20)15-5-3-2-4-13(15)16/h2-9,14,17-18H,10H2,1H3/t14-/m0/s1
InChIKeyISGWZSHJLCGJQT-AWEZNQCLSA-N
XLogP3.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide (CID 97416946) is 2-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide is CSc1ccc([C@@H](O)CNS(=O)(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide?
The InChIKey is ISGWZSHJLCGJQT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16ClNO3S2/c1-21-12-8-6-11(7-9-12)14(18)10-17-22(19,20)15-5-3-2-4-13(15)16/h2-9,14,17-18H,10H2,1H3/t14-/m0/s1.
What are the key properties of 2-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide?
2-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide has a molecular weight of 357.88 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 97416946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).