8-[[5-fluoro-2-(methanesulfonamido)benzoyl]amino]octanoic acid

C16H23FN2O5S — CID 120535606

IUPAC8-[[5-fluoro-2-(methanesulfonamido)benzoyl]amino]octanoic acid
SMILESCS(=O)(=O)Nc1ccc(F)cc1C(=O)NCCCCCCCC(=O)O
InChIInChI=1S/C16H23FN2O5S/c1-25(23,24)19-14-9-8-12(17)11-13(14)16(22)18-10-6-4-2-3-5-7-15(20)21/h8-9,11,19H,2-7,10H2,1H3,(H,18,22)(H,20,21)
InChIKeyYEPJSUWERANNTP-UHFFFAOYSA-N
MW374.43 g/mol
LogP2.35
Rot. Bonds11

About 8-[[5-fluoro-2-(methanesulfonamido)benzoyl]amino]octanoic acid

8-[[5-fluoro-2-(methanesulfonamido)benzoyl]amino]octanoic acid (PubChem CID 120535606) has the molecular formula C16H23FN2O5S and a molecular weight of 374.43 g/mol. Its IUPAC name is 8-[[5-fluoro-2-(methanesulfonamido)benzoyl]amino]octanoic acid.

Molecular Properties

Compound Name8-[[5-fluoro-2-(methanesulfonamido)benzoyl]amino]octanoic acid
PubChem CID120535606
Molecular FormulaC16H23FN2O5S
Molecular Weight374.43 g/mol
Exact Mass374.13
IUPAC Name8-[[5-fluoro-2-(methanesulfonamido)benzoyl]amino]octanoic acid
SMILESCS(=O)(=O)Nc1ccc(F)cc1C(=O)NCCCCCCCC(=O)O
InChIInChI=1S/C16H23FN2O5S/c1-25(23,24)19-14-9-8-12(17)11-13(14)16(22)18-10-6-4-2-3-5-7-15(20)21/h8-9,11,19H,2-7,10H2,1H3,(H,18,22)(H,20,21)
InChIKeyYEPJSUWERANNTP-UHFFFAOYSA-N
XLogP2.35
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]hexanoic acid
CID 119220222
7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid
CID 62034426
8-[(2-amino-5-fluorobenzoyl)amino]octanoic acid
CID 54514696
6-[(2-chloro-4-fluorobenzoyl)amino]hexanoic acid
CID 16782062
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
6-[(2-methyl-5-methylsulfonylbenzoyl)amino]hexanoic acid
CID 119219761
4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid
CID 107013327
2,5-difluoro-N-undecylbenzamide
CID 91717430
5-fluoro-2-hydroxy-N-(8-oxononyl)benzamide
CID 59140674
6-[(2,7-difluoro-9-oxo-10H-acridine-4-carbonyl)amino]hexanoic acid
CID 120522577
N-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide
CID 84594465
7-[(2,3,4-trifluorobenzoyl)amino]heptanoic acid
CID 79757091

Frequently Asked Questions

What is the IUPAC name of 8-[[5-fluoro-2-(methanesulfonamido)benzoyl]amino]octanoic acid?
The IUPAC name of 8-[[5-fluoro-2-(methanesulfonamido)benzoyl]amino]octanoic acid (CID 120535606) is 8-[[5-fluoro-2-(methanesulfonamido)benzoyl]amino]octanoic acid.
What is the SMILES notation for 8-[[5-fluoro-2-(methanesulfonamido)benzoyl]amino]octanoic acid?
The canonical SMILES for 8-[[5-fluoro-2-(methanesulfonamido)benzoyl]amino]octanoic acid is CS(=O)(=O)Nc1ccc(F)cc1C(=O)NCCCCCCCC(=O)O.
What is the InChIKey of 8-[[5-fluoro-2-(methanesulfonamido)benzoyl]amino]octanoic acid?
The InChIKey is YEPJSUWERANNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O5S/c1-25(23,24)19-14-9-8-12(17)11-13(14)16(22)18-10-6-4-2-3-5-7-15(20)21/h8-9,11,19H,2-7,10H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 8-[[5-fluoro-2-(methanesulfonamido)benzoyl]amino]octanoic acid?
8-[[5-fluoro-2-(methanesulfonamido)benzoyl]amino]octanoic acid has a molecular weight of 374.43 g/mol, XLogP of 2.35, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-fluoro-2-(methanesulfonamido)benzoyl]amino]octanoic acid is sourced from PubChem (CID 120535606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).