N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide

C20H15FN2O3S — CID 122184518

IUPACN-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(C#N)c(F)c2)cc1
InChIInChI=1S/C20H15FN2O3S/c1-26-16-8-10-17(11-9-16)27(24,25)23-20-5-3-2-4-18(20)14-6-7-15(13-22)19(21)12-14/h2-12,23H,1H3
InChIKeyBZCRXIUFMBZXPZ-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.17
Rot. Bonds5

About N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide

N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide (PubChem CID 122184518) has the molecular formula C20H15FN2O3S and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide
PubChem CID122184518
Molecular FormulaC20H15FN2O3S
Molecular Weight382.42 g/mol
Exact Mass382.08
IUPAC NameN-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(C#N)c(F)c2)cc1
InChIInChI=1S/C20H15FN2O3S/c1-26-16-8-10-17(11-9-16)27(24,25)23-20-5-3-2-4-18(20)14-6-7-15(13-22)19(21)12-14/h2-12,23H,1H3
InChIKeyBZCRXIUFMBZXPZ-UHFFFAOYSA-N
XLogP4.17
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-cyano-3-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 154631933
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
N-[4,5-difluoro-2-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 67653567
4-bromo-N-[2-(3-methoxyphenyl)phenyl]benzenesulfonamide
CID 135086781
N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide
CID 169370137
3-fluoro-4-methoxy-N-(2-phenylphenyl)benzenesulfonamide
CID 39825493
N-[2-(2-acetylphenyl)phenyl]-4-methoxybenzenesulfonamide
CID 58597404
N-[2-(4-methoxyphenyl)phenyl]methanesulfonamide
CID 23508536
4-methoxy-N-(2-phenyl-3-pyridinyl)benzenesulfonamide
CID 154631921
N-[2-[2-(1-hydroxyethyl)phenyl]phenyl]-4-methoxybenzenesulfonamide
CID 69255044
N-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide
CID 43580855
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide
CID 15294855

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide (CID 122184518) is N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(C#N)c(F)c2)cc1.
What is the InChIKey of N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is BZCRXIUFMBZXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3S/c1-26-16-8-10-17(11-9-16)27(24,25)23-20-5-3-2-4-18(20)14-6-7-15(13-22)19(21)12-14/h2-12,23H,1H3.
What are the key properties of N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide?
N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 382.42 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 122184518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).