1-(4-fluorophenyl)-N-(2-methoxy-4-propan-2-ylphenyl)methanesulfonamide

C17H20FNO3S — CID 110777594

IUPAC1-(4-fluorophenyl)-N-(2-methoxy-4-propan-2-ylphenyl)methanesulfonamide
SMILESCOc1cc(C(C)C)ccc1NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H20FNO3S/c1-12(2)14-6-9-16(17(10-14)22-3)19-23(20,21)11-13-4-7-15(18)8-5-13/h4-10,12,19H,11H2,1-3H3
InChIKeyCTHQWLFPZNLKHP-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.90
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(2-methoxy-4-propan-2-ylphenyl)methanesulfonamide

1-(4-fluorophenyl)-N-(2-methoxy-4-propan-2-ylphenyl)methanesulfonamide (PubChem CID 110777594) has the molecular formula C17H20FNO3S and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-methoxy-4-propan-2-ylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-methoxy-4-propan-2-ylphenyl)methanesulfonamide
PubChem CID110777594
Molecular FormulaC17H20FNO3S
Molecular Weight337.42 g/mol
Exact Mass337.11
IUPAC Name1-(4-fluorophenyl)-N-(2-methoxy-4-propan-2-ylphenyl)methanesulfonamide
SMILESCOc1cc(C(C)C)ccc1NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H20FNO3S/c1-12(2)14-6-9-16(17(10-14)22-3)19-23(20,21)11-13-4-7-15(18)8-5-13/h4-10,12,19H,11H2,1-3H3
InChIKeyCTHQWLFPZNLKHP-UHFFFAOYSA-N
XLogP3.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-methoxy-4-propan-2-ylphenyl)methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-methoxy-4-propan-2-ylphenyl)methanesulfonamide (CID 110777594) is 1-(4-fluorophenyl)-N-(2-methoxy-4-propan-2-ylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-methoxy-4-propan-2-ylphenyl)methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-methoxy-4-propan-2-ylphenyl)methanesulfonamide is COc1cc(C(C)C)ccc1NS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-methoxy-4-propan-2-ylphenyl)methanesulfonamide?
The InChIKey is CTHQWLFPZNLKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3S/c1-12(2)14-6-9-16(17(10-14)22-3)19-23(20,21)11-13-4-7-15(18)8-5-13/h4-10,12,19H,11H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-(2-methoxy-4-propan-2-ylphenyl)methanesulfonamide?
1-(4-fluorophenyl)-N-(2-methoxy-4-propan-2-ylphenyl)methanesulfonamide has a molecular weight of 337.42 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-methoxy-4-propan-2-ylphenyl)methanesulfonamide is sourced from PubChem (CID 110777594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).