2-[5-fluoro-2-methyl-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetic acid

C16H14FN3O4S — CID 11314477

IUPAC2-[5-fluoro-2-methyl-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetic acid
SMILESCc1c(S(=O)(=O)Nc2cccnc2)c2cc(F)ccc2n1CC(=O)O
InChIInChI=1S/C16H14FN3O4S/c1-10-16(25(23,24)19-12-3-2-6-18-8-12)13-7-11(17)4-5-14(13)20(10)9-15(21)22/h2-8,19H,9H2,1H3,(H,21,22)
InChIKeyVOJJHNHDGRPZFP-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.37
Rot. Bonds5

About 2-[5-fluoro-2-methyl-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetic acid

2-[5-fluoro-2-methyl-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetic acid (PubChem CID 11314477) has the molecular formula C16H14FN3O4S and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-[5-fluoro-2-methyl-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-2-methyl-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetic acid
PubChem CID11314477
Molecular FormulaC16H14FN3O4S
Molecular Weight363.37 g/mol
Exact Mass363.07
IUPAC Name2-[5-fluoro-2-methyl-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetic acid
SMILESCc1c(S(=O)(=O)Nc2cccnc2)c2cc(F)ccc2n1CC(=O)O
InChIInChI=1S/C16H14FN3O4S/c1-10-16(25(23,24)19-12-3-2-6-18-8-12)13-7-11(17)4-5-14(13)20(10)9-15(21)22/h2-8,19H,9H2,1H3,(H,21,22)
InChIKeyVOJJHNHDGRPZFP-UHFFFAOYSA-N
XLogP2.37
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-2-methylindol-1-yl]acetic acid
CID 11417943
2-[5-fluoro-3-[fluoro(phenyl)sulfamoyl]-2-methylindol-1-yl]acetic acid
CID 91058598
3-fluoro-4-methyl-5-(pyridin-3-ylsulfamoyl)benzoic acid
CID 43510389
2-(5-fluoro-2-methyl-1-pyridin-3-ylsulfonylindol-3-yl)acetic acid
CID 11198842
2-[3-[[5-(benzenesulfonyl)pyrimidin-4-yl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid
CID 58201220
2-(3-benzylsulfanyl-5-fluoro-2-methylindol-1-yl)acetic acid
CID 69457532
aniline;methyl 2-[5-fluoro-2-methyl-3-[[2-(phenylsulfamoyl)phenyl]methyl]indol-1-yl]acetate
CID 158365819
2-[5-fluoro-3-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]-2-methylindol-1-yl]acetic acid
CID 130422471
2-[5-fluoro-2-methyl-3-[[3-(propylsulfamoyl)phenyl]methyl]indol-1-yl]acetic acid
CID 67159649
2-[5-fluoro-2-methyl-3-[3-[(4-methylphenyl)sulfonylamino]cyclobutyl]indol-1-yl]acetic acid
CID 130433688
2-[5-fluoro-2-methyl-3-[(3-phenoxyphenyl)methyl]indol-1-yl]acetic acid
CID 67159554
2-[3-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetic acid
CID 130433726

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-methyl-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetic acid?
The IUPAC name of 2-[5-fluoro-2-methyl-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetic acid (CID 11314477) is 2-[5-fluoro-2-methyl-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-fluoro-2-methyl-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-fluoro-2-methyl-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetic acid is Cc1c(S(=O)(=O)Nc2cccnc2)c2cc(F)ccc2n1CC(=O)O.
What is the InChIKey of 2-[5-fluoro-2-methyl-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetic acid?
The InChIKey is VOJJHNHDGRPZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4S/c1-10-16(25(23,24)19-12-3-2-6-18-8-12)13-7-11(17)4-5-14(13)20(10)9-15(21)22/h2-8,19H,9H2,1H3,(H,21,22).
What are the key properties of 2-[5-fluoro-2-methyl-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetic acid?
2-[5-fluoro-2-methyl-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetic acid has a molecular weight of 363.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-methyl-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetic acid is sourced from PubChem (CID 11314477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).