N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylbenzenesulfonamide

C19H16FNO4S2 — CID 1106872

IUPACN-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C19H16FNO4S2/c1-14-2-8-19(9-3-14)27(24,25)21-16-6-12-18(13-7-16)26(22,23)17-10-4-15(20)5-11-17/h2-13,21H,1H3
InChIKeyJXCXZFSUBPJUFQ-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.77
Rot. Bonds5

About N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylbenzenesulfonamide

N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylbenzenesulfonamide (PubChem CID 1106872) has the molecular formula C19H16FNO4S2 and a molecular weight of 405.47 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylbenzenesulfonamide
PubChem CID1106872
Molecular FormulaC19H16FNO4S2
Molecular Weight405.47 g/mol
Exact Mass405.05
IUPAC NameN-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C19H16FNO4S2/c1-14-2-8-19(9-3-14)27(24,25)21-16-6-12-18(13-7-16)26(22,23)17-10-4-15(20)5-11-17/h2-13,21H,1H3
InChIKeyJXCXZFSUBPJUFQ-UHFFFAOYSA-N
XLogP3.77
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylbenzenesulfonamide (CID 1106872) is N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylbenzenesulfonamide?
The InChIKey is JXCXZFSUBPJUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4S2/c1-14-2-8-19(9-3-14)27(24,25)21-16-6-12-18(13-7-16)26(22,23)17-10-4-15(20)5-11-17/h2-13,21H,1H3.
What are the key properties of N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylbenzenesulfonamide?
N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylbenzenesulfonamide has a molecular weight of 405.47 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 1106872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).