5-[4-fluoro-3-(methanesulfonamido)anilino]-5-oxopentanoic acid

C12H15FN2O5S — CID 60941392

IUPAC5-[4-fluoro-3-(methanesulfonamido)anilino]-5-oxopentanoic acid
SMILESCS(=O)(=O)Nc1cc(NC(=O)CCCC(=O)O)ccc1F
InChIInChI=1S/C12H15FN2O5S/c1-21(19,20)15-10-7-8(5-6-9(10)13)14-11(16)3-2-4-12(17)18/h5-7,15H,2-4H2,1H3,(H,14,16)(H,17,18)
InChIKeyDKMPFZPBRSLUQC-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.39
Rot. Bonds7

About 5-[4-fluoro-3-(methanesulfonamido)anilino]-5-oxopentanoic acid

5-[4-fluoro-3-(methanesulfonamido)anilino]-5-oxopentanoic acid (PubChem CID 60941392) has the molecular formula C12H15FN2O5S and a molecular weight of 318.33 g/mol. Its IUPAC name is 5-[4-fluoro-3-(methanesulfonamido)anilino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-fluoro-3-(methanesulfonamido)anilino]-5-oxopentanoic acid
PubChem CID60941392
Molecular FormulaC12H15FN2O5S
Molecular Weight318.33 g/mol
Exact Mass318.07
IUPAC Name5-[4-fluoro-3-(methanesulfonamido)anilino]-5-oxopentanoic acid
SMILESCS(=O)(=O)Nc1cc(NC(=O)CCCC(=O)O)ccc1F
InChIInChI=1S/C12H15FN2O5S/c1-21(19,20)15-10-7-8(5-6-9(10)13)14-11(16)3-2-4-12(17)18/h5-7,15H,2-4H2,1H3,(H,14,16)(H,17,18)
InChIKeyDKMPFZPBRSLUQC-UHFFFAOYSA-N
XLogP1.39
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-hydroxybutanamide
CID 79201442
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide
CID 60852910
3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
CID 43050377
5-[3-(methanesulfonamido)anilino]-5-oxopentanoic acid
CID 60940402
5-(2-fluoro-5-methylsulfonylanilino)-5-oxopentanoic acid
CID 60708181
2-(4-chlorophenyl)sulfonyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
CID 24677242
2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
CID 62732998
ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate
CID 60728396
5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
CID 25487071
2-amino-2-ethyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]butanamide
CID 79814001
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide
CID 43710308
5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid
CID 43396605

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-(methanesulfonamido)anilino]-5-oxopentanoic acid?
The IUPAC name of 5-[4-fluoro-3-(methanesulfonamido)anilino]-5-oxopentanoic acid (CID 60941392) is 5-[4-fluoro-3-(methanesulfonamido)anilino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-fluoro-3-(methanesulfonamido)anilino]-5-oxopentanoic acid?
The canonical SMILES for 5-[4-fluoro-3-(methanesulfonamido)anilino]-5-oxopentanoic acid is CS(=O)(=O)Nc1cc(NC(=O)CCCC(=O)O)ccc1F.
What is the InChIKey of 5-[4-fluoro-3-(methanesulfonamido)anilino]-5-oxopentanoic acid?
The InChIKey is DKMPFZPBRSLUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O5S/c1-21(19,20)15-10-7-8(5-6-9(10)13)14-11(16)3-2-4-12(17)18/h5-7,15H,2-4H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 5-[4-fluoro-3-(methanesulfonamido)anilino]-5-oxopentanoic acid?
5-[4-fluoro-3-(methanesulfonamido)anilino]-5-oxopentanoic acid has a molecular weight of 318.33 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-3-(methanesulfonamido)anilino]-5-oxopentanoic acid is sourced from PubChem (CID 60941392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).