4-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]benzenesulfonamide

C14H14ClNO3S — CID 66978868

IUPAC4-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1O
InChIInChI=1S/C14H14ClNO3S/c1-10(13-4-2-3-5-14(13)17)16-20(18,19)12-8-6-11(15)7-9-12/h2-10,16-17H,1H3/t10-/m0/s1
InChIKeyQDUIQWPSCMSBPJ-JTQLQIEISA-N
MW311.79 g/mol
LogP3.09
Rot. Bonds4

About 4-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]benzenesulfonamide

4-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]benzenesulfonamide (PubChem CID 66978868) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]benzenesulfonamide
PubChem CID66978868
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC Name4-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1O
InChIInChI=1S/C14H14ClNO3S/c1-10(13-4-2-3-5-14(13)17)16-20(18,19)12-8-6-11(15)7-9-12/h2-10,16-17H,1H3/t10-/m0/s1
InChIKeyQDUIQWPSCMSBPJ-JTQLQIEISA-N
XLogP3.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 18083064
N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 42999040
N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 31391944
N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide
CID 3814235
4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817386
4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 10471593
4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 107858824
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
4-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzenesulfonamide
CID 3745238
4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 40744824
4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 26944548

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]benzenesulfonamide (CID 66978868) is 4-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1O.
What is the InChIKey of 4-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is QDUIQWPSCMSBPJ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-10(13-4-2-3-5-14(13)17)16-20(18,19)12-8-6-11(15)7-9-12/h2-10,16-17H,1H3/t10-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]benzenesulfonamide?
4-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 66978868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).