5-chloro-2-cyano-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide

C14H19ClN2O3S — CID 103835199

IUPAC5-chloro-2-cyano-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)c1cc(Cl)ccc1C#N
InChIInChI=1S/C14H19ClN2O3S/c1-3-10(4-2)13(18)9-17-21(19,20)14-7-12(15)6-5-11(14)8-16/h5-7,10,13,17-18H,3-4,9H2,1-2H3
InChIKeyJVSZNTPFBFPHGQ-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.29
Rot. Bonds7

About 5-chloro-2-cyano-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide

5-chloro-2-cyano-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide (PubChem CID 103835199) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 5-chloro-2-cyano-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-cyano-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
PubChem CID103835199
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name5-chloro-2-cyano-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)c1cc(Cl)ccc1C#N
InChIInChI=1S/C14H19ClN2O3S/c1-3-10(4-2)13(18)9-17-21(19,20)14-7-12(15)6-5-11(14)8-16/h5-7,10,13,17-18H,3-4,9H2,1-2H3
InChIKeyJVSZNTPFBFPHGQ-UHFFFAOYSA-N
XLogP2.29
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
CID 103836888
5-chloro-2-cyano-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103834427
5-chloro-2-cyano-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65034730
5-chloro-2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65113139
5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501464
5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753553
2-[(5-chloro-2-cyanophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43245317
2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide
CID 103835211
5-chloro-2-cyano-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79255611
5-chloro-2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115362906
6-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid
CID 43132394
5-chloro-2-cyano-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61284926

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyano-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-cyano-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide (CID 103835199) is 5-chloro-2-cyano-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-cyano-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-cyano-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide is CCC(CC)C(O)CNS(=O)(=O)c1cc(Cl)ccc1C#N.
What is the InChIKey of 5-chloro-2-cyano-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide?
The InChIKey is JVSZNTPFBFPHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-3-10(4-2)13(18)9-17-21(19,20)14-7-12(15)6-5-11(14)8-16/h5-7,10,13,17-18H,3-4,9H2,1-2H3.
What are the key properties of 5-chloro-2-cyano-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide?
5-chloro-2-cyano-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide has a molecular weight of 330.84 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyano-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide is sourced from PubChem (CID 103835199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).