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

C13H20ClNO3S — CID 69464437

IUPAC2-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide
SMILESCCC(CC)[C@@H](CO)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H20ClNO3S/c1-3-10(4-2)12(9-16)15-19(17,18)13-8-6-5-7-11(13)14/h5-8,10,12,15-16H,3-4,9H2,1-2H3/t12-/m1/s1
InChIKeyBSNIZBDSFGYGKU-GFCCVEGCSA-N
MW305.83 g/mol
LogP2.42
Rot. Bonds7

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

2-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide (PubChem CID 69464437) has the molecular formula C13H20ClNO3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide
PubChem CID69464437
Molecular FormulaC13H20ClNO3S
Molecular Weight305.83 g/mol
Exact Mass305.09
IUPAC Name2-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide
SMILESCCC(CC)[C@@H](CO)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H20ClNO3S/c1-3-10(4-2)12(9-16)15-19(17,18)13-8-6-5-7-11(13)14/h5-8,10,12,15-16H,3-4,9H2,1-2H3/t12-/m1/s1
InChIKeyBSNIZBDSFGYGKU-GFCCVEGCSA-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

N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide
CID 118863079
(2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 28831674
2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832457
2-chloro-N-[(2S)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832456
N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide
CID 104873370
2-chloro-N-[diethoxyphosphoryl(phenyl)methyl]benzenesulfonamide
CID 3701055
2-[(2-chlorophenyl)sulfonylamino]propanethioamide
CID 61124636
N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide
CID 79023963
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79248106
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 65314246
2-chloro-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 129416500
N-(3-ethyl-1-hydroxypentan-2-yl)-5-fluorothiophene-2-sulfonamide
CID 22500717

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide (CID 69464437) is 2-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide is CCC(CC)[C@@H](CO)NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide?
The InChIKey is BSNIZBDSFGYGKU-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20ClNO3S/c1-3-10(4-2)12(9-16)15-19(17,18)13-8-6-5-7-11(13)14/h5-8,10,12,15-16H,3-4,9H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide?
2-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 2-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 69464437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).