2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide

C13H19ClFNO3S — CID 103835211

IUPAC2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C13H19ClFNO3S/c1-3-9(4-2)12(17)8-16-20(18,19)13-7-10(15)5-6-11(13)14/h5-7,9,12,16-17H,3-4,8H2,1-2H3
InChIKeyGRXMOMBZWYCZFY-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.55
Rot. Bonds7

About 2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide

2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide (PubChem CID 103835211) has the molecular formula C13H19ClFNO3S and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide
PubChem CID103835211
Molecular FormulaC13H19ClFNO3S
Molecular Weight323.82 g/mol
Exact Mass323.08
IUPAC Name2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C13H19ClFNO3S/c1-3-9(4-2)12(17)8-16-20(18,19)13-7-10(15)5-6-11(13)14/h5-7,9,12,16-17H,3-4,8H2,1-2H3
InChIKeyGRXMOMBZWYCZFY-UHFFFAOYSA-N
XLogP2.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide
CID 115701461
2-chloro-N-(4-chloro-2-ethylbutyl)-5-fluorobenzenesulfonamide
CID 105400660
N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide
CID 86780772
2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697607
5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide
CID 106284143
2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 115752308
N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780565
4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
CID 106288270
N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 75431000
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-5-methylsulfonylbenzenesulfonamide
CID 103836927
N-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400692
5-chloro-2-cyano-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
CID 103835199

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide (CID 103835211) is 2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide is CCC(CC)C(O)CNS(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide?
The InChIKey is GRXMOMBZWYCZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO3S/c1-3-9(4-2)12(17)8-16-20(18,19)13-7-10(15)5-6-11(13)14/h5-7,9,12,16-17H,3-4,8H2,1-2H3.
What are the key properties of 2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide?
2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide has a molecular weight of 323.82 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 103835211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).