N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide

C17H18FNO3S — CID 3425071

IUPACN-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO3S/c1-13-2-8-16(9-3-13)23(21,22)11-10-17(20)19-12-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyGKHYMVPHKLJXNB-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.61
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide

N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 3425071) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID3425071
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO3S/c1-13-2-8-16(9-3-13)23(21,22)11-10-17(20)19-12-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyGKHYMVPHKLJXNB-UHFFFAOYSA-N
XLogP2.61
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide (CID 3425071) is N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is GKHYMVPHKLJXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-13-2-8-16(9-3-13)23(21,22)11-10-17(20)19-12-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide?
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 335.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 3425071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).