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

C10H14ClNO3S — CID 7314213

IUPAC4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO3S/c1-2-9(7-13)12-16(14,15)10-5-3-8(11)4-6-10/h3-6,9,12-13H,2,7H2,1H3/t9-/m0/s1
InChIKeyNFNLRPDZTZPZRI-VIFPVBQESA-N
MW263.75 g/mol
LogP1.39
Rot. Bonds5

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

4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide (PubChem CID 7314213) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
PubChem CID7314213
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO3S/c1-2-9(7-13)12-16(14,15)10-5-3-8(11)4-6-10/h3-6,9,12-13H,2,7H2,1H3/t9-/m0/s1
InChIKeyNFNLRPDZTZPZRI-VIFPVBQESA-N
XLogP1.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide (CID 7314213) is 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide is CC[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The InChIKey is NFNLRPDZTZPZRI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-2-9(7-13)12-16(14,15)10-5-3-8(11)4-6-10/h3-6,9,12-13H,2,7H2,1H3/t9-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
4-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide has a molecular weight of 263.75 g/mol, XLogP of 1.39, 5 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-hydroxybutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 7314213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).