3-(2-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]propanamide

C16H15ClFNO3S — CID 2462603

IUPAC3-(2-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1Cl)NCc1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO3S/c17-14-3-1-2-4-15(14)23(21,22)10-9-16(20)19-11-12-5-7-13(18)8-6-12/h1-8H,9-11H2,(H,19,20)
InChIKeySGZACNOFXPKBRB-UHFFFAOYSA-N
MW355.82 g/mol
LogP2.96
Rot. Bonds6

About 3-(2-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]propanamide

3-(2-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 2462603) has the molecular formula C16H15ClFNO3S and a molecular weight of 355.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID2462603
Molecular FormulaC16H15ClFNO3S
Molecular Weight355.82 g/mol
Exact Mass355.04
IUPAC Name3-(2-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1Cl)NCc1ccc(F)cc1
InChIInChI=1S/C16H15ClFNO3S/c17-14-3-1-2-4-15(14)23(21,22)10-9-16(20)19-11-12-5-7-13(18)8-6-12/h1-8H,9-11H2,(H,19,20)
InChIKeySGZACNOFXPKBRB-UHFFFAOYSA-N
XLogP2.96
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]propanamide (CID 2462603) is 3-(2-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1Cl)NCc1ccc(F)cc1.
What is the InChIKey of 3-(2-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is SGZACNOFXPKBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO3S/c17-14-3-1-2-4-15(14)23(21,22)10-9-16(20)19-11-12-5-7-13(18)8-6-12/h1-8H,9-11H2,(H,19,20).
What are the key properties of 3-(2-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]propanamide?
3-(2-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 355.82 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 2462603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).