3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide

C10H8Cl2N2O2S — CID 115638510

IUPAC3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide
SMILESC=C(Cl)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C10H8Cl2N2O2S/c1-7(11)6-14-17(15,16)9-3-2-8(5-13)10(12)4-9/h2-4,14H,1,6H2
InChIKeyBMCGOVNPOOJHHW-UHFFFAOYSA-N
MW291.16 g/mol
LogP2.24
Rot. Bonds4

About 3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide

3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide (PubChem CID 115638510) has the molecular formula C10H8Cl2N2O2S and a molecular weight of 291.16 g/mol. Its IUPAC name is 3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide
PubChem CID115638510
Molecular FormulaC10H8Cl2N2O2S
Molecular Weight291.16 g/mol
Exact Mass289.97
IUPAC Name3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide
SMILESC=C(Cl)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C10H8Cl2N2O2S/c1-7(11)6-14-17(15,16)9-3-2-8(5-13)10(12)4-9/h2-4,14H,1,6H2
InChIKeyBMCGOVNPOOJHHW-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

2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid
CID 112685913
3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918322
5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753553
3-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
CID 112686409
2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea
CID 112691993
3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide
CID 106442080
3-chloro-4-cyano-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 112703641
3-chloro-4-cyano-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzenesulfonamide
CID 103834864
N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride
CID 75431033
3-chloro-4-cyano-N-[2-(ethylamino)ethyl]benzenesulfonamide
CID 112703431
3-chloro-4-cyano-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 115591016
N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753551

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide (CID 115638510) is 3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide is C=C(Cl)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide?
The InChIKey is BMCGOVNPOOJHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2S/c1-7(11)6-14-17(15,16)9-3-2-8(5-13)10(12)4-9/h2-4,14H,1,6H2.
What are the key properties of 3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide?
3-chloro-N-(2-chloroprop-2-enyl)-4-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 3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide is sourced from PubChem (CID 115638510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).