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

C11H13ClN2O3S — CID 54879174

IUPAC5-chloro-2-cyano-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1cc(Cl)ccc1C#N
InChIInChI=1S/C11H13ClN2O3S/c1-2-14(5-6-15)18(16,17)11-7-10(12)4-3-9(11)8-13/h3-4,7,15H,2,5-6H2,1H3
InChIKeyDYBXNNDVSSHMJA-UHFFFAOYSA-N
MW288.76 g/mol
LogP1.21
Rot. Bonds5

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

5-chloro-2-cyano-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 54879174) has the molecular formula C11H13ClN2O3S and a molecular weight of 288.76 g/mol. Its IUPAC name is 5-chloro-2-cyano-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-cyano-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID54879174
Molecular FormulaC11H13ClN2O3S
Molecular Weight288.76 g/mol
Exact Mass288.03
IUPAC Name5-chloro-2-cyano-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1cc(Cl)ccc1C#N
InChIInChI=1S/C11H13ClN2O3S/c1-2-14(5-6-15)18(16,17)11-7-10(12)4-3-9(11)8-13/h3-4,7,15H,2,5-6H2,1H3
InChIKeyDYBXNNDVSSHMJA-UHFFFAOYSA-N
XLogP1.21
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675845
4-chloro-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 54879156
5-chloro-2-cyano-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387594
N-(3-aminopropyl)-5-chloro-2-cyano-N-methylbenzenesulfonamide
CID 113285759
5-chloro-2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide
CID 34043521
4-[(5-chloro-2-cyanophenyl)sulfonyl-methylamino]butanoic acid
CID 43245320
4-chloro-N,N-bis(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 61233833
N-(azetidin-3-yl)-5-chloro-2-cyano-N-propylbenzenesulfonamide
CID 66214863
N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-nitrobenzenesulfonamide
CID 54878677
2-amino-4-chloro-N-(2-cyanoethyl)-N-ethylbenzenesulfonamide
CID 61140226
2-chloro-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957799
5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501464

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyano-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-cyano-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide (CID 54879174) is 5-chloro-2-cyano-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-cyano-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-cyano-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide is CCN(CCO)S(=O)(=O)c1cc(Cl)ccc1C#N.
What is the InChIKey of 5-chloro-2-cyano-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is DYBXNNDVSSHMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S/c1-2-14(5-6-15)18(16,17)11-7-10(12)4-3-9(11)8-13/h3-4,7,15H,2,5-6H2,1H3.
What are the key properties of 5-chloro-2-cyano-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
5-chloro-2-cyano-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 288.76 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyano-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 54879174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).