3-chloro-4-cyano-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide

C15H10ClFN6O2S — CID 52886287

IUPAC3-chloro-4-cyano-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide
SMILESCc1nnnn1-c1ccc(F)c(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1
InChIInChI=1S/C15H10ClFN6O2S/c1-9-19-21-22-23(9)11-3-5-14(17)15(6-11)20-26(24,25)12-4-2-10(8-18)13(16)7-12/h2-7,20H,1H3
InChIKeyLEMVRMKOBBNEQN-UHFFFAOYSA-N
MW392.80 g/mol
LogP2.44
Rot. Bonds4

About 3-chloro-4-cyano-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide

3-chloro-4-cyano-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 52886287) has the molecular formula C15H10ClFN6O2S and a molecular weight of 392.80 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide
PubChem CID52886287
Molecular FormulaC15H10ClFN6O2S
Molecular Weight392.80 g/mol
Exact Mass392.03
IUPAC Name3-chloro-4-cyano-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide
SMILESCc1nnnn1-c1ccc(F)c(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1
InChIInChI=1S/C15H10ClFN6O2S/c1-9-19-21-22-23(9)11-3-5-14(17)15(6-11)20-26(24,25)12-4-2-10(8-18)13(16)7-12/h2-7,20H,1H3
InChIKeyLEMVRMKOBBNEQN-UHFFFAOYSA-N
XLogP2.44
TPSA113.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.80
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-chloro-4-cyano-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide
CID 115588628
3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
CID 47309192
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 56571773
3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide
CID 115588624
3-chloro-4-cyano-N-(2,6-dimethyl-3-pyridinyl)benzenesulfonamide
CID 115687718
3-chloro-N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
CID 103745721
N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide
CID 115701867
3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide
CID 47309083
3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide
CID 112684851
3-chloro-4-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 104826727
3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide
CID 115619551
3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 63235815

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide (CID 52886287) is 3-chloro-4-cyano-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide is Cc1nnnn1-c1ccc(F)c(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1.
What is the InChIKey of 3-chloro-4-cyano-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is LEMVRMKOBBNEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN6O2S/c1-9-19-21-22-23(9)11-3-5-14(17)15(6-11)20-26(24,25)12-4-2-10(8-18)13(16)7-12/h2-7,20H,1H3.
What are the key properties of 3-chloro-4-cyano-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide?
3-chloro-4-cyano-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 392.80 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 52886287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).