N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(cyanomethyl)methanesulfonamide

C15H11Cl2FN2O2S — CID 59313656

IUPACN-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(cyanomethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC#N)c1ccc(-c2ccc(Cl)c(F)c2)c(Cl)c1
InChIInChI=1S/C15H11Cl2FN2O2S/c1-23(21,22)20(7-6-19)11-3-4-12(14(17)9-11)10-2-5-13(16)15(18)8-10/h2-5,8-9H,7H2,1H3
InChIKeyWAJWWHXENLKAON-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.09
Rot. Bonds4

About N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(cyanomethyl)methanesulfonamide

N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(cyanomethyl)methanesulfonamide (PubChem CID 59313656) has the molecular formula C15H11Cl2FN2O2S and a molecular weight of 373.24 g/mol. Its IUPAC name is N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(cyanomethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(cyanomethyl)methanesulfonamide
PubChem CID59313656
Molecular FormulaC15H11Cl2FN2O2S
Molecular Weight373.24 g/mol
Exact Mass371.99
IUPAC NameN-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(cyanomethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC#N)c1ccc(-c2ccc(Cl)c(F)c2)c(Cl)c1
InChIInChI=1S/C15H11Cl2FN2O2S/c1-23(21,22)20(7-6-19)11-3-4-12(14(17)9-11)10-2-5-13(16)15(18)8-10/h2-5,8-9H,7H2,1H3
InChIKeyWAJWWHXENLKAON-UHFFFAOYSA-N
XLogP4.09
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(cyanomethyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(cyanomethyl)methanesulfonamide?
The IUPAC name of N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(cyanomethyl)methanesulfonamide (CID 59313656) is N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(cyanomethyl)methanesulfonamide.
What is the SMILES notation for N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(cyanomethyl)methanesulfonamide?
The canonical SMILES for N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(cyanomethyl)methanesulfonamide is CS(=O)(=O)N(CC#N)c1ccc(-c2ccc(Cl)c(F)c2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(cyanomethyl)methanesulfonamide?
The InChIKey is WAJWWHXENLKAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O2S/c1-23(21,22)20(7-6-19)11-3-4-12(14(17)9-11)10-2-5-13(16)15(18)8-10/h2-5,8-9H,7H2,1H3.
What are the key properties of N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(cyanomethyl)methanesulfonamide?
N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(cyanomethyl)methanesulfonamide has a molecular weight of 373.24 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(cyanomethyl)methanesulfonamide is sourced from PubChem (CID 59313656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).