3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide

C20H14ClFN2O3S — CID 146545814

IUPAC3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1c(Cl)cc(C#N)cc1S(=O)(=O)Nc1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C20H14ClFN2O3S/c1-27-20-16(21)9-13(12-23)10-19(20)28(25,26)24-18-11-15(7-8-17(18)22)14-5-3-2-4-6-14/h2-11,24H,1H3
InChIKeySJESICSAWNWAFA-UHFFFAOYSA-N
MW416.86 g/mol
LogP4.83
Rot. Bonds5

About 3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide

3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide (PubChem CID 146545814) has the molecular formula C20H14ClFN2O3S and a molecular weight of 416.86 g/mol. Its IUPAC name is 3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide
PubChem CID146545814
Molecular FormulaC20H14ClFN2O3S
Molecular Weight416.86 g/mol
Exact Mass416.04
IUPAC Name3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1c(Cl)cc(C#N)cc1S(=O)(=O)Nc1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C20H14ClFN2O3S/c1-27-20-16(21)9-13(12-23)10-19(20)28(25,26)24-18-11-15(7-8-17(18)22)14-5-3-2-4-6-14/h2-11,24H,1H3
InChIKeySJESICSAWNWAFA-UHFFFAOYSA-N
XLogP4.83
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.86
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide (CID 146545814) is 3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide is COc1c(Cl)cc(C#N)cc1S(=O)(=O)Nc1cc(-c2ccccc2)ccc1F.
What is the InChIKey of 3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide?
The InChIKey is SJESICSAWNWAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2O3S/c1-27-20-16(21)9-13(12-23)10-19(20)28(25,26)24-18-11-15(7-8-17(18)22)14-5-3-2-4-6-14/h2-11,24H,1H3.
What are the key properties of 3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide?
3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide has a molecular weight of 416.86 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 146545814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).