5-chloro-2-cyano-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide

C11H13ClN2O3S — CID 65034730

IUPAC5-chloro-2-cyano-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(CO)CNS(=O)(=O)c1cc(Cl)ccc1C#N
InChIInChI=1S/C11H13ClN2O3S/c1-8(7-15)6-14-18(16,17)11-4-10(12)3-2-9(11)5-13/h2-4,8,14-15H,6-7H2,1H3
InChIKeyWPJPDGJOOZATQU-UHFFFAOYSA-N
MW288.76 g/mol
LogP1.12
Rot. Bonds5

About 5-chloro-2-cyano-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide

5-chloro-2-cyano-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide (PubChem CID 65034730) has the molecular formula C11H13ClN2O3S and a molecular weight of 288.76 g/mol. Its IUPAC name is 5-chloro-2-cyano-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-cyano-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
PubChem CID65034730
Molecular FormulaC11H13ClN2O3S
Molecular Weight288.76 g/mol
Exact Mass288.03
IUPAC Name5-chloro-2-cyano-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(CO)CNS(=O)(=O)c1cc(Cl)ccc1C#N
InChIInChI=1S/C11H13ClN2O3S/c1-8(7-15)6-14-18(16,17)11-4-10(12)3-2-9(11)5-13/h2-4,8,14-15H,6-7H2,1H3
InChIKeyWPJPDGJOOZATQU-UHFFFAOYSA-N
XLogP1.12
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-cyano-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103834427
5-chloro-2-cyano-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
CID 103835199
5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
CID 103836888
5-chloro-2-cyano-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79255611
5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501464
5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753553
5-chloro-2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65113139
5-chloro-2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103833845
5-chloro-2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115362906
2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832457
2-chloro-N-[(2S)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832456
2-[(5-chloro-2-cyanophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43245317

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyano-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-cyano-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide (CID 65034730) is 5-chloro-2-cyano-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-cyano-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-cyano-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide is CC(CO)CNS(=O)(=O)c1cc(Cl)ccc1C#N.
What is the InChIKey of 5-chloro-2-cyano-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is WPJPDGJOOZATQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S/c1-8(7-15)6-14-18(16,17)11-4-10(12)3-2-9(11)5-13/h2-4,8,14-15H,6-7H2,1H3.
What are the key properties of 5-chloro-2-cyano-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide?
5-chloro-2-cyano-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 288.76 g/mol, XLogP of 1.12, 5 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-hydroxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 65034730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).