3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide

C15H15FN2O3S — CID 9412312

IUPAC3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)Nc1cccc(F)c1
InChIInChI=1S/C15H15FN2O3S/c16-12-5-4-6-13(11-12)18-15(19)9-10-17-22(20,21)14-7-2-1-3-8-14/h1-8,11,17H,9-10H2,(H,18,19)
InChIKeyCQZXGQWURZEVIW-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.13
Rot. Bonds6

About 3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide

3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide (PubChem CID 9412312) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide
PubChem CID9412312
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC Name3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)Nc1cccc(F)c1
InChIInChI=1S/C15H15FN2O3S/c16-12-5-4-6-13(11-12)18-15(19)9-10-17-22(20,21)14-7-2-1-3-8-14/h1-8,11,17H,9-10H2,(H,18,19)
InChIKeyCQZXGQWURZEVIW-UHFFFAOYSA-N
XLogP2.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 17192108
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CID 2576569
3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 9412446
2-(benzenesulfonamido)-N-(3-fluorophenyl)acetamide
CID 891841
N-(3-fluorophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192589
3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
CID 32728448
3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118763
3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 55347189
N-(3-fluorophenyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 126459076
3-(benzenesulfonamido)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17225952
3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
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3-[[3-(3-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 43466320

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide (CID 9412312) is 3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide is O=C(CCNS(=O)(=O)c1ccccc1)Nc1cccc(F)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide?
The InChIKey is CQZXGQWURZEVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c16-12-5-4-6-13(11-12)18-15(19)9-10-17-22(20,21)14-7-2-1-3-8-14/h1-8,11,17H,9-10H2,(H,18,19).
What are the key properties of 3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide?
3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide has a molecular weight of 322.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 9412312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).