5-chloro-2-cyano-N-(2-hydroxyethyl)benzenesulfonamide

C9H9ClN2O3S — CID 43501980

IUPAC5-chloro-2-cyano-N-(2-hydroxyethyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)NCCO
InChIInChI=1S/C9H9ClN2O3S/c10-8-2-1-7(6-11)9(5-8)16(14,15)12-3-4-13/h1-2,5,12-13H,3-4H2
InChIKeyULYVMLOYFOBOHR-UHFFFAOYSA-N
MW260.70 g/mol
LogP0.48
Rot. Bonds4

About 5-chloro-2-cyano-N-(2-hydroxyethyl)benzenesulfonamide

5-chloro-2-cyano-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 43501980) has the molecular formula C9H9ClN2O3S and a molecular weight of 260.70 g/mol. Its IUPAC name is 5-chloro-2-cyano-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-cyano-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID43501980
Molecular FormulaC9H9ClN2O3S
Molecular Weight260.70 g/mol
Exact Mass260.00
IUPAC Name5-chloro-2-cyano-N-(2-hydroxyethyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)NCCO
InChIInChI=1S/C9H9ClN2O3S/c10-8-2-1-7(6-11)9(5-8)16(14,15)12-3-4-13/h1-2,5,12-13H,3-4H2
InChIKeyULYVMLOYFOBOHR-UHFFFAOYSA-N
XLogP0.48
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-cyano-N-(4-hydroxy-2,2-dimethylpentyl)benzenesulfonamide
CID 84600357
5-chloro-N-[(1R)-1-cyano-2-methylpropyl]-2-methylbenzenesulfonamide
CID 132306069
2-chloro-3-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 136585411
5-chloro-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 68631683
2-cyano-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 64130693
5-chloro-2-cyano-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 71967728
5-chloro-2-cyano-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 82714682
3-chloro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834007
3-chloro-4-cyano-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834067
5-chloro-2-cyano-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834086
5-chloro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834116
3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 103836795

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyano-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-cyano-N-(2-hydroxyethyl)benzenesulfonamide (CID 43501980) is 5-chloro-2-cyano-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-cyano-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-cyano-N-(2-hydroxyethyl)benzenesulfonamide is N#Cc1ccc(Cl)cc1S(=O)(=O)NCCO.
What is the InChIKey of 5-chloro-2-cyano-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is ULYVMLOYFOBOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3S/c10-8-2-1-7(6-11)9(5-8)16(14,15)12-3-4-13/h1-2,5,12-13H,3-4H2.
What are the key properties of 5-chloro-2-cyano-N-(2-hydroxyethyl)benzenesulfonamide?
5-chloro-2-cyano-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 260.70 g/mol, XLogP of 0.48, 4 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-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 43501980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).