N-[4-(4-fluorophenoxy)phenyl]-4-methylbenzenesulfonamide

C19H16FNO3S — CID 2808364

IUPACN-[4-(4-fluorophenoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C19H16FNO3S/c1-14-2-12-19(13-3-14)25(22,23)21-16-6-10-18(11-7-16)24-17-8-4-15(20)5-9-17/h2-13,21H,1H3
InChIKeyKBEMOBCGVSALRS-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.73
Rot. Bonds5

About N-[4-(4-fluorophenoxy)phenyl]-4-methylbenzenesulfonamide

N-[4-(4-fluorophenoxy)phenyl]-4-methylbenzenesulfonamide (PubChem CID 2808364) has the molecular formula C19H16FNO3S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)phenyl]-4-methylbenzenesulfonamide
PubChem CID2808364
Molecular FormulaC19H16FNO3S
Molecular Weight357.41 g/mol
Exact Mass357.08
IUPAC NameN-[4-(4-fluorophenoxy)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C19H16FNO3S/c1-14-2-12-19(13-3-14)25(22,23)21-16-6-10-18(11-7-16)24-17-8-4-15(20)5-9-17/h2-13,21H,1H3
InChIKeyKBEMOBCGVSALRS-UHFFFAOYSA-N
XLogP4.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(4-fluorophenoxy)phenyl]-4-methylbenzenesulfonamide (CID 2808364) is N-[4-(4-fluorophenoxy)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-fluorophenoxy)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is KBEMOBCGVSALRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S/c1-14-2-12-19(13-3-14)25(22,23)21-16-6-10-18(11-7-16)24-17-8-4-15(20)5-9-17/h2-13,21H,1H3.
What are the key properties of N-[4-(4-fluorophenoxy)phenyl]-4-methylbenzenesulfonamide?
N-[4-(4-fluorophenoxy)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 357.41 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2808364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).