5-(butylsulfonylcarbamoyl)-3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid

C18H19FN2O6S — CID 139669290

IUPAC5-(butylsulfonylcarbamoyl)-3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid
SMILESCCCCS(=O)(=O)NC(=O)c1cnc(C(=O)O)c(OCc2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O6S/c1-2-3-8-28(25,26)21-17(22)13-9-15(16(18(23)24)20-10-13)27-11-12-4-6-14(19)7-5-12/h4-7,9-10H,2-3,8,11H2,1H3,(H,21,22)(H,23,24)
InChIKeyJWMKJGYLVWCRGL-UHFFFAOYSA-N
MW410.42 g/mol
LogP2.36
Rot. Bonds9

About 5-(butylsulfonylcarbamoyl)-3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid

5-(butylsulfonylcarbamoyl)-3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid (PubChem CID 139669290) has the molecular formula C18H19FN2O6S and a molecular weight of 410.42 g/mol. Its IUPAC name is 5-(butylsulfonylcarbamoyl)-3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(butylsulfonylcarbamoyl)-3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid
PubChem CID139669290
Molecular FormulaC18H19FN2O6S
Molecular Weight410.42 g/mol
Exact Mass410.09
IUPAC Name5-(butylsulfonylcarbamoyl)-3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid
SMILESCCCCS(=O)(=O)NC(=O)c1cnc(C(=O)O)c(OCc2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O6S/c1-2-3-8-28(25,26)21-17(22)13-9-15(16(18(23)24)20-10-13)27-11-12-4-6-14(19)7-5-12/h4-7,9-10H,2-3,8,11H2,1H3,(H,21,22)(H,23,24)
InChIKeyJWMKJGYLVWCRGL-UHFFFAOYSA-N
XLogP2.36
TPSA122.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid
CID 22923804
ethyl 2-[[5-(decylsulfonylcarbamoyl)-3-methoxypyridine-2-carbonyl]amino]acetate
CID 54557989
5-ethoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid
CID 22923812
ethyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928247
3-[(4-fluorophenyl)methoxy]-5-(3,7,11-trimethyldodeca-2,6,10-trienoxycarbonyl)pyridine-2-carboxylic acid
CID 67715978
5-ethoxycarbonyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid
CID 22923875
[5-(hexadecylsulfonylcarbamoyl)-3-methoxy-2-pyridinyl] methyl carbonate
CID 70274407
methyl 2-[[5-(butylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate
CID 19970558
4-[(4-fluorophenyl)methoxy]-3-hydroxypyridine-2-carboxylic acid
CID 19960336
N-[(4-fluorophenyl)methylsulfonyl]-3,5-dimethoxy-4-methylbenzamide
CID 51119346
methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate
CID 86725638
6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-N-propylsulfonylpyridine-3-carboxamide
CID 22105639

Frequently Asked Questions

What is the IUPAC name of 5-(butylsulfonylcarbamoyl)-3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 5-(butylsulfonylcarbamoyl)-3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid (CID 139669290) is 5-(butylsulfonylcarbamoyl)-3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(butylsulfonylcarbamoyl)-3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 5-(butylsulfonylcarbamoyl)-3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid is CCCCS(=O)(=O)NC(=O)c1cnc(C(=O)O)c(OCc2ccc(F)cc2)c1.
What is the InChIKey of 5-(butylsulfonylcarbamoyl)-3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid?
The InChIKey is JWMKJGYLVWCRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O6S/c1-2-3-8-28(25,26)21-17(22)13-9-15(16(18(23)24)20-10-13)27-11-12-4-6-14(19)7-5-12/h4-7,9-10H,2-3,8,11H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 5-(butylsulfonylcarbamoyl)-3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid?
5-(butylsulfonylcarbamoyl)-3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid has a molecular weight of 410.42 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylsulfonylcarbamoyl)-3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 139669290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).