4-chloro-N-[(4-chlorophenyl)methyl]-3-cyano-N-methylbenzenesulfonamide

C15H12Cl2N2O2S — CID 55907073

IUPAC4-chloro-N-[(4-chlorophenyl)methyl]-3-cyano-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1
InChIInChI=1S/C15H12Cl2N2O2S/c1-19(10-11-2-4-13(16)5-3-11)22(20,21)14-6-7-15(17)12(8-14)9-18/h2-8H,10H2,1H3
InChIKeyZSGDSTJWUYVEKE-UHFFFAOYSA-N
MW355.25 g/mol
LogP3.69
Rot. Bonds4

About 4-chloro-N-[(4-chlorophenyl)methyl]-3-cyano-N-methylbenzenesulfonamide

4-chloro-N-[(4-chlorophenyl)methyl]-3-cyano-N-methylbenzenesulfonamide (PubChem CID 55907073) has the molecular formula C15H12Cl2N2O2S and a molecular weight of 355.25 g/mol. Its IUPAC name is 4-chloro-N-[(4-chlorophenyl)methyl]-3-cyano-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(4-chlorophenyl)methyl]-3-cyano-N-methylbenzenesulfonamide
PubChem CID55907073
Molecular FormulaC15H12Cl2N2O2S
Molecular Weight355.25 g/mol
Exact Mass354.00
IUPAC Name4-chloro-N-[(4-chlorophenyl)methyl]-3-cyano-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1
InChIInChI=1S/C15H12Cl2N2O2S/c1-19(10-11-2-4-13(16)5-3-11)22(20,21)14-6-7-15(17)12(8-14)9-18/h2-8H,10H2,1H3
InChIKeyZSGDSTJWUYVEKE-UHFFFAOYSA-N
XLogP3.69
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-chlorophenyl)methyl]-3-cyano-N-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[(4-chlorophenyl)methyl]-3-cyano-N-methylbenzenesulfonamide (CID 55907073) is 4-chloro-N-[(4-chlorophenyl)methyl]-3-cyano-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(4-chlorophenyl)methyl]-3-cyano-N-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(4-chlorophenyl)methyl]-3-cyano-N-methylbenzenesulfonamide is CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1.
What is the InChIKey of 4-chloro-N-[(4-chlorophenyl)methyl]-3-cyano-N-methylbenzenesulfonamide?
The InChIKey is ZSGDSTJWUYVEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2S/c1-19(10-11-2-4-13(16)5-3-11)22(20,21)14-6-7-15(17)12(8-14)9-18/h2-8H,10H2,1H3.
What are the key properties of 4-chloro-N-[(4-chlorophenyl)methyl]-3-cyano-N-methylbenzenesulfonamide?
4-chloro-N-[(4-chlorophenyl)methyl]-3-cyano-N-methylbenzenesulfonamide has a molecular weight of 355.25 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-chlorophenyl)methyl]-3-cyano-N-methylbenzenesulfonamide is sourced from PubChem (CID 55907073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).