3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide

C16H16ClFN2O3S — CID 43050377

IUPAC3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)CCc2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C16H16ClFN2O3S/c1-24(22,23)20-15-10-13(7-8-14(15)18)19-16(21)9-4-11-2-5-12(17)6-3-11/h2-3,5-8,10,20H,4,9H2,1H3,(H,19,21)
InChIKeyHCNSGGADLGCWIU-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.42
Rot. Bonds6

About 3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide

3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide (PubChem CID 43050377) has the molecular formula C16H16ClFN2O3S and a molecular weight of 370.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
PubChem CID43050377
Molecular FormulaC16H16ClFN2O3S
Molecular Weight370.83 g/mol
Exact Mass370.06
IUPAC Name3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)CCc2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C16H16ClFN2O3S/c1-24(22,23)20-15-10-13(7-8-14(15)18)19-16(21)9-4-11-2-5-12(17)6-3-11/h2-3,5-8,10,20H,4,9H2,1H3,(H,19,21)
InChIKeyHCNSGGADLGCWIU-UHFFFAOYSA-N
XLogP3.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide
CID 79201442
2-(4-chlorophenyl)sulfonyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
CID 24677242
5-[4-fluoro-3-(methanesulfonamido)anilino]-5-oxopentanoic acid
CID 60941392
4-(4-chlorophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]butanamide
CID 55828058
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide
CID 60852910
5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
CID 25487071
N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide
CID 52559111
N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide
CID 134019079
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 32749964
2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
CID 62732998
N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 100588730
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide (CID 43050377) is 3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide is CS(=O)(=O)Nc1cc(NC(=O)CCc2ccc(Cl)cc2)ccc1F.
What is the InChIKey of 3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide?
The InChIKey is HCNSGGADLGCWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S/c1-24(22,23)20-15-10-13(7-8-14(15)18)19-16(21)9-4-11-2-5-12(17)6-3-11/h2-3,5-8,10,20H,4,9H2,1H3,(H,19,21).
What are the key properties of 3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide?
3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide has a molecular weight of 370.83 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide is sourced from PubChem (CID 43050377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).