5-chloro-2-ethoxy-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide

C13H20ClNO4S — CID 42034386

IUPAC5-chloro-2-ethoxy-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H](CC)CO
InChIInChI=1S/C13H20ClNO4S/c1-4-10(8-16)15-20(17,18)13-7-11(14)9(3)6-12(13)19-5-2/h6-7,10,15-16H,4-5,8H2,1-3H3/t10-/m0/s1
InChIKeyHTJQAPZFYXCOEA-JTQLQIEISA-N
MW321.83 g/mol
LogP2.10
Rot. Bonds7

About 5-chloro-2-ethoxy-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide

5-chloro-2-ethoxy-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 42034386) has the molecular formula C13H20ClNO4S and a molecular weight of 321.83 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-ethoxy-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
PubChem CID42034386
Molecular FormulaC13H20ClNO4S
Molecular Weight321.83 g/mol
Exact Mass321.08
IUPAC Name5-chloro-2-ethoxy-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H](CC)CO
InChIInChI=1S/C13H20ClNO4S/c1-4-10(8-16)15-20(17,18)13-7-11(14)9(3)6-12(13)19-5-2/h6-7,10,15-16H,4-5,8H2,1-3H3/t10-/m0/s1
InChIKeyHTJQAPZFYXCOEA-JTQLQIEISA-N
XLogP2.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-ethoxy-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-N-[(2R)-1-hydroxybutan-2-yl]-2-methoxy-4-methylbenzenesulfonamide
CID 42034401
5-bromo-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-4-methylbenzenesulfonamide
CID 42034400
4-bromo-2,5-dichloro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 97310075
N-[(2R)-butan-2-yl]-5-chloro-4-methyl-2-pentoxybenzenesulfonamide
CID 42065856
3,4-diethoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501581
5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide
CID 93081202
4-chloro-N-(1-hydroxybutan-2-yl)-2-methyl-5-nitrobenzenesulfonamide
CID 81042173
4-ethoxy-N-(1-hydroxy-3-phenylpropan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 110673589
4-[(5-chloro-2-ethoxy-4-methylphenyl)sulfonylamino]benzoic acid
CID 15944040
4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]-2-methylbenzenesulfonamide
CID 93084017
4-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081169
4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501727

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-2-ethoxy-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide (CID 42034386) is 5-chloro-2-ethoxy-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-2-ethoxy-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-2-ethoxy-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide is CCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H](CC)CO.
What is the InChIKey of 5-chloro-2-ethoxy-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is HTJQAPZFYXCOEA-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20ClNO4S/c1-4-10(8-16)15-20(17,18)13-7-11(14)9(3)6-12(13)19-5-2/h6-7,10,15-16H,4-5,8H2,1-3H3/t10-/m0/s1.
What are the key properties of 5-chloro-2-ethoxy-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide?
5-chloro-2-ethoxy-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 321.83 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxy-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 42034386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).