2-chloro-4-fluoro-N-[(4R)-5-hydroxy-2-methylheptan-4-yl]benzenesulfonamide

C14H21ClFNO3S — CID 68835906

IUPAC2-chloro-4-fluoro-N-[(4R)-5-hydroxy-2-methylheptan-4-yl]benzenesulfonamide
SMILESCCC(O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H21ClFNO3S/c1-4-13(18)12(7-9(2)3)17-21(19,20)14-6-5-10(16)8-11(14)15/h5-6,8-9,12-13,17-18H,4,7H2,1-3H3/t12-,13?/m1/s1
InChIKeyLGIWSWFKURUWTJ-PZORYLMUSA-N
MW337.84 g/mol
LogP2.94
Rot. Bonds7

About 2-chloro-4-fluoro-N-[(4R)-5-hydroxy-2-methylheptan-4-yl]benzenesulfonamide

2-chloro-4-fluoro-N-[(4R)-5-hydroxy-2-methylheptan-4-yl]benzenesulfonamide (PubChem CID 68835906) has the molecular formula C14H21ClFNO3S and a molecular weight of 337.84 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[(4R)-5-hydroxy-2-methylheptan-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[(4R)-5-hydroxy-2-methylheptan-4-yl]benzenesulfonamide
PubChem CID68835906
Molecular FormulaC14H21ClFNO3S
Molecular Weight337.84 g/mol
Exact Mass337.09
IUPAC Name2-chloro-4-fluoro-N-[(4R)-5-hydroxy-2-methylheptan-4-yl]benzenesulfonamide
SMILESCCC(O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H21ClFNO3S/c1-4-13(18)12(7-9(2)3)17-21(19,20)14-6-5-10(16)8-11(14)15/h5-6,8-9,12-13,17-18H,4,7H2,1-3H3/t12-,13?/m1/s1
InChIKeyLGIWSWFKURUWTJ-PZORYLMUSA-N
XLogP2.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.84
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-fluoro-N-[(4R)-5-hydroxy-2-methylheptan-4-yl]benzenesulfonamide with MolForge

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Related Compounds

(2S)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 61154149
(2S,3R)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935327
2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
2-chloro-5-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide
CID 113381999
4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43372042
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3463854
2-chloro-4-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]benzenesulfonamide
CID 94024873
2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640
2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824623
(2S,3S)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 103862725
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 105399638
N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide
CID 47142063

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[(4R)-5-hydroxy-2-methylheptan-4-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-[(4R)-5-hydroxy-2-methylheptan-4-yl]benzenesulfonamide (CID 68835906) is 2-chloro-4-fluoro-N-[(4R)-5-hydroxy-2-methylheptan-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[(4R)-5-hydroxy-2-methylheptan-4-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[(4R)-5-hydroxy-2-methylheptan-4-yl]benzenesulfonamide is CCC(O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[(4R)-5-hydroxy-2-methylheptan-4-yl]benzenesulfonamide?
The InChIKey is LGIWSWFKURUWTJ-PZORYLMUSA-N. The full InChI is InChI=1S/C14H21ClFNO3S/c1-4-13(18)12(7-9(2)3)17-21(19,20)14-6-5-10(16)8-11(14)15/h5-6,8-9,12-13,17-18H,4,7H2,1-3H3/t12-,13?/m1/s1.
What are the key properties of 2-chloro-4-fluoro-N-[(4R)-5-hydroxy-2-methylheptan-4-yl]benzenesulfonamide?
2-chloro-4-fluoro-N-[(4R)-5-hydroxy-2-methylheptan-4-yl]benzenesulfonamide has a molecular weight of 337.84 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[(4R)-5-hydroxy-2-methylheptan-4-yl]benzenesulfonamide is sourced from PubChem (CID 68835906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).