4-chloro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide

C9H12ClNO3S — CID 25263459

IUPAC4-chloro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILESC[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO3S/c1-7(6-12)11-15(13,14)9-4-2-8(10)3-5-9/h2-5,7,11-12H,6H2,1H3/t7-/m0/s1
InChIKeyNWUDJSYDNZEMHV-ZETCQYMHSA-N
MW249.72 g/mol
LogP1.00
Rot. Bonds4

About 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide

4-chloro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide (PubChem CID 25263459) has the molecular formula C9H12ClNO3S and a molecular weight of 249.72 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
PubChem CID25263459
Molecular FormulaC9H12ClNO3S
Molecular Weight249.72 g/mol
Exact Mass249.02
IUPAC Name4-chloro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILESC[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO3S/c1-7(6-12)11-15(13,14)9-4-2-8(10)3-5-9/h2-5,7,11-12H,6H2,1H3/t7-/m0/s1
InChIKeyNWUDJSYDNZEMHV-ZETCQYMHSA-N
XLogP1.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide (CID 25263459) is 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide is C[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide?
The InChIKey is NWUDJSYDNZEMHV-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12ClNO3S/c1-7(6-12)11-15(13,14)9-4-2-8(10)3-5-9/h2-5,7,11-12H,6H2,1H3/t7-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide?
4-chloro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide has a molecular weight of 249.72 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 25263459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).