3-chloro-4-cyano-N-(1-hydroxypropan-2-yl)benzenesulfonamide

C10H11ClN2O3S — CID 115755311

IUPAC3-chloro-4-cyano-N-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)NS(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C10H11ClN2O3S/c1-7(6-14)13-17(15,16)9-3-2-8(5-12)10(11)4-9/h2-4,7,13-14H,6H2,1H3
InChIKeyJMRSSIPGQOFNRR-UHFFFAOYSA-N
MW274.73 g/mol
LogP0.87
Rot. Bonds4

About 3-chloro-4-cyano-N-(1-hydroxypropan-2-yl)benzenesulfonamide

3-chloro-4-cyano-N-(1-hydroxypropan-2-yl)benzenesulfonamide (PubChem CID 115755311) has the molecular formula C10H11ClN2O3S and a molecular weight of 274.73 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-(1-hydroxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-(1-hydroxypropan-2-yl)benzenesulfonamide
PubChem CID115755311
Molecular FormulaC10H11ClN2O3S
Molecular Weight274.73 g/mol
Exact Mass274.02
IUPAC Name3-chloro-4-cyano-N-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)NS(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C10H11ClN2O3S/c1-7(6-14)13-17(15,16)9-3-2-8(5-12)10(11)4-9/h2-4,7,13-14H,6H2,1H3
InChIKeyJMRSSIPGQOFNRR-UHFFFAOYSA-N
XLogP0.87
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide
CID 112684851
3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502121
3-chloro-4-cyano-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 103861189
3-chloro-4-cyano-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 112686588
3-chloro-4-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103833830
methyl (2S)-2-[(3-chloro-4-cyanophenyl)sulfonylamino]propanoate
CID 87040378
3-chloro-4-cyano-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 115582135
3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 106546351
N-(1-amino-4-methylpentan-2-yl)-3-chloro-4-cyanobenzenesulfonamide
CID 115752456
N-(1-amino-4-methylpentan-2-yl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride
CID 119983339
2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 103989875
3-cyano-4-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 113318233

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-(1-hydroxypropan-2-yl)benzenesulfonamide (CID 115755311) is 3-chloro-4-cyano-N-(1-hydroxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-(1-hydroxypropan-2-yl)benzenesulfonamide is CC(CO)NS(=O)(=O)c1ccc(C#N)c(Cl)c1.
What is the InChIKey of 3-chloro-4-cyano-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The InChIKey is JMRSSIPGQOFNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3S/c1-7(6-14)13-17(15,16)9-3-2-8(5-12)10(11)4-9/h2-4,7,13-14H,6H2,1H3.
What are the key properties of 3-chloro-4-cyano-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
3-chloro-4-cyano-N-(1-hydroxypropan-2-yl)benzenesulfonamide has a molecular weight of 274.73 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-(1-hydroxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 115755311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).