N-(4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide

C14H14FNO3S — CID 850025

IUPACN-(4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H14FNO3S/c1-10-3-8-13(19-2)14(9-10)20(17,18)16-12-6-4-11(15)5-7-12/h3-9,16H,1-2H3
InChIKeySMHFINNGHBJTOC-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.94
Rot. Bonds4

About N-(4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide

N-(4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 850025) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID850025
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC NameN-(4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H14FNO3S/c1-10-3-8-13(19-2)14(9-10)20(17,18)16-12-6-4-11(15)5-7-12/h3-9,16H,1-2H3
InChIKeySMHFINNGHBJTOC-UHFFFAOYSA-N
XLogP2.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide (CID 850025) is N-(4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is SMHFINNGHBJTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-10-3-8-13(19-2)14(9-10)20(17,18)16-12-6-4-11(15)5-7-12/h3-9,16H,1-2H3.
What are the key properties of N-(4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
N-(4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 850025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).