4-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide

C13H20ClNO3S — CID 11779875

IUPAC4-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide
SMILESCCC(CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO3S/c1-3-10(4-2)13(9-16)15-19(17,18)12-7-5-11(14)6-8-12/h5-8,10,13,15-16H,3-4,9H2,1-2H3/t13-/m1/s1
InChIKeyKBVZDYCSYMTCEV-CYBMUJFWSA-N
MW305.83 g/mol
LogP2.42
Rot. Bonds7

About 4-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide

4-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide (PubChem CID 11779875) has the molecular formula C13H20ClNO3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide
PubChem CID11779875
Molecular FormulaC13H20ClNO3S
Molecular Weight305.83 g/mol
Exact Mass305.09
IUPAC Name4-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide
SMILESCCC(CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO3S/c1-3-10(4-2)13(9-16)15-19(17,18)12-7-5-11(14)6-8-12/h5-8,10,13,15-16H,3-4,9H2,1-2H3/t13-/m1/s1
InChIKeyKBVZDYCSYMTCEV-CYBMUJFWSA-N
XLogP2.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-N-(4-chlorophenyl)-1-hydroxy-3-methylpentane-2-sulfonamido
CID 25263462
Phenylsulfonamide, 2o
CID 9996459
4-chloro-N-[(1S,2S)-1-(hydroxymethyl)-2-methylbutyl]benzenesulfonamide
CID 10039936
Phenylsulfonamide, 2d
CID 10084784
Phenylsulfonamide, 2r
CID 25263453
Phenylsulfonamide, 8c
CID 25263460
4-Chloro-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]benzenesulfonamide
CID 25263463
3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502186
Phenylsulfonamide, 2n
CID 25263451
5-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 46902197
(2S,3S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 788539
Phenylsulfonamide, 8f
CID 9971551

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide (CID 11779875) is 4-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide is CCC(CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide?
The InChIKey is KBVZDYCSYMTCEV-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20ClNO3S/c1-3-10(4-2)13(9-16)15-19(17,18)12-7-5-11(14)6-8-12/h5-8,10,13,15-16H,3-4,9H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide?
4-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide has a molecular weight of 305.83 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 11779875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).