3-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)propanamide

C15H13ClFNO3S — CID 3550070

IUPAC3-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H13ClFNO3S/c16-11-1-7-14(8-2-11)22(20,21)10-9-15(19)18-13-5-3-12(17)4-6-13/h1-8H,9-10H2,(H,18,19)
InChIKeyBURXNTHVABTRMO-UHFFFAOYSA-N
MW341.79 g/mol
LogP3.28
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)propanamide

3-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)propanamide (PubChem CID 3550070) has the molecular formula C15H13ClFNO3S and a molecular weight of 341.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
PubChem CID3550070
Molecular FormulaC15H13ClFNO3S
Molecular Weight341.79 g/mol
Exact Mass341.03
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H13ClFNO3S/c16-11-1-7-14(8-2-11)22(20,21)10-9-15(19)18-13-5-3-12(17)4-6-13/h1-8H,9-10H2,(H,18,19)
InChIKeyBURXNTHVABTRMO-UHFFFAOYSA-N
XLogP3.28
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)propanamide (CID 3550070) is 3-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)propanamide is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)propanamide?
The InChIKey is BURXNTHVABTRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3S/c16-11-1-7-14(8-2-11)22(20,21)10-9-15(19)18-13-5-3-12(17)4-6-13/h1-8H,9-10H2,(H,18,19).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)propanamide has a molecular weight of 341.79 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 3550070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).