2-chloro-5-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide

C11H15ClFNO3S — CID 113381999

IUPAC2-chloro-5-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide
SMILESCC(O)CC(C)NS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H15ClFNO3S/c1-7(5-8(2)15)14-18(16,17)11-6-9(13)3-4-10(11)12/h3-4,6-8,14-15H,5H2,1-2H3
InChIKeyOMFLGTAXBBSMIT-UHFFFAOYSA-N
MW295.76 g/mol
LogP1.92
Rot. Bonds5

About 2-chloro-5-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide

2-chloro-5-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide (PubChem CID 113381999) has the molecular formula C11H15ClFNO3S and a molecular weight of 295.76 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide
PubChem CID113381999
Molecular FormulaC11H15ClFNO3S
Molecular Weight295.76 g/mol
Exact Mass295.04
IUPAC Name2-chloro-5-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide
SMILESCC(O)CC(C)NS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H15ClFNO3S/c1-7(5-8(2)15)14-18(16,17)11-6-9(13)3-4-10(11)12/h3-4,6-8,14-15H,5H2,1-2H3
InChIKeyOMFLGTAXBBSMIT-UHFFFAOYSA-N
XLogP1.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromopropan-2-yl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400691
N-(4-bromo-3-methylbutan-2-yl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400734
(2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid
CID 103862701
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 114517798
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 105399638
(2S,3S)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 103862725
(3R)-3-[(2-chloro-5-fluorophenyl)sulfonylamino]-4,4-dimethylpentanoic acid
CID 166259120
2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid
CID 104739176
N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280
2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide
CID 103835211
2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93398317
2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697607

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide (CID 113381999) is 2-chloro-5-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide is CC(O)CC(C)NS(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide?
The InChIKey is OMFLGTAXBBSMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO3S/c1-7(5-8(2)15)14-18(16,17)11-6-9(13)3-4-10(11)12/h3-4,6-8,14-15H,5H2,1-2H3.
What are the key properties of 2-chloro-5-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide?
2-chloro-5-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide has a molecular weight of 295.76 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 113381999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).