5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide

C10H8Cl2N2O2S — CID 115753553

IUPAC5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
SMILESC=C(Cl)CNS(=O)(=O)c1cc(Cl)ccc1C#N
InChIInChI=1S/C10H8Cl2N2O2S/c1-7(11)6-14-17(15,16)10-4-9(12)3-2-8(10)5-13/h2-4,14H,1,6H2
InChIKeyJDCFMTXFNFITEX-UHFFFAOYSA-N
MW291.16 g/mol
LogP2.24
Rot. Bonds4

About 5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide

5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide (PubChem CID 115753553) has the molecular formula C10H8Cl2N2O2S and a molecular weight of 291.16 g/mol. Its IUPAC name is 5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
PubChem CID115753553
Molecular FormulaC10H8Cl2N2O2S
Molecular Weight291.16 g/mol
Exact Mass289.97
IUPAC Name5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
SMILESC=C(Cl)CNS(=O)(=O)c1cc(Cl)ccc1C#N
InChIInChI=1S/C10H8Cl2N2O2S/c1-7(11)6-14-17(15,16)10-4-9(12)3-2-8(10)5-13/h2-4,14H,1,6H2
InChIKeyJDCFMTXFNFITEX-UHFFFAOYSA-N
XLogP2.24
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753551
5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501464
3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide
CID 115638510
6-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid
CID 43132394
5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
CID 103836888
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-ethyl-2-hydroxypentyl)benzenesulfonamide
CID 103835199
5-chloro-2-cyano-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126720
5-chloro-2-cyano-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103834427
5-chloro-2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 115362906
5-chloro-2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103833845

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide?
The IUPAC name of 5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide (CID 115753553) is 5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide is C=C(Cl)CNS(=O)(=O)c1cc(Cl)ccc1C#N.
What is the InChIKey of 5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide?
The InChIKey is JDCFMTXFNFITEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2S/c1-7(11)6-14-17(15,16)10-4-9(12)3-2-8(10)5-13/h2-4,14H,1,6H2.
What are the key properties of 5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide?
5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide has a molecular weight of 291.16 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide is sourced from PubChem (CID 115753553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).