5-chloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzenesulfonamide

C17H19ClFNO3S — CID 71810673

IUPAC5-chloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzenesulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1cc(Cl)ccc1C)c1ccccc1F
InChIInChI=1S/C17H19ClFNO3S/c1-12-8-9-13(18)10-16(12)24(21,22)20-11-17(2,23-3)14-6-4-5-7-15(14)19/h4-10,20H,11H2,1-3H3
InChIKeyQKTHRPFKHKMZIT-UHFFFAOYSA-N
MW371.86 g/mol
LogP3.63
Rot. Bonds6

About 5-chloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzenesulfonamide

5-chloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzenesulfonamide (PubChem CID 71810673) has the molecular formula C17H19ClFNO3S and a molecular weight of 371.86 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzenesulfonamide
PubChem CID71810673
Molecular FormulaC17H19ClFNO3S
Molecular Weight371.86 g/mol
Exact Mass371.08
IUPAC Name5-chloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzenesulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1cc(Cl)ccc1C)c1ccccc1F
InChIInChI=1S/C17H19ClFNO3S/c1-12-8-9-13(18)10-16(12)24(21,22)20-11-17(2,23-3)14-6-4-5-7-15(14)19/h4-10,20H,11H2,1-3H3
InChIKeyQKTHRPFKHKMZIT-UHFFFAOYSA-N
XLogP3.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzenesulfonamide (CID 71810673) is 5-chloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzenesulfonamide is COC(C)(CNS(=O)(=O)c1cc(Cl)ccc1C)c1ccccc1F.
What is the InChIKey of 5-chloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzenesulfonamide?
The InChIKey is QKTHRPFKHKMZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO3S/c1-12-8-9-13(18)10-16(12)24(21,22)20-11-17(2,23-3)14-6-4-5-7-15(14)19/h4-10,20H,11H2,1-3H3.
What are the key properties of 5-chloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzenesulfonamide?
5-chloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzenesulfonamide has a molecular weight of 371.86 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 71810673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).