2-(5-fluoro-2-methyl-1-pyridin-3-ylsulfonylindol-3-yl)acetic acid

C16H13FN2O4S — CID 11198842

IUPAC2-(5-fluoro-2-methyl-1-pyridin-3-ylsulfonylindol-3-yl)acetic acid
SMILESCc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1cccnc1
InChIInChI=1S/C16H13FN2O4S/c1-10-13(8-16(20)21)14-7-11(17)4-5-15(14)19(10)24(22,23)12-3-2-6-18-9-12/h2-7,9H,8H2,1H3,(H,20,21)
InChIKeyVCKSHOVPZAWRTQ-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.35
Rot. Bonds4

About 2-(5-fluoro-2-methyl-1-pyridin-3-ylsulfonylindol-3-yl)acetic acid

2-(5-fluoro-2-methyl-1-pyridin-3-ylsulfonylindol-3-yl)acetic acid (PubChem CID 11198842) has the molecular formula C16H13FN2O4S and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-1-pyridin-3-ylsulfonylindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-1-pyridin-3-ylsulfonylindol-3-yl)acetic acid
PubChem CID11198842
Molecular FormulaC16H13FN2O4S
Molecular Weight348.36 g/mol
Exact Mass348.06
IUPAC Name2-(5-fluoro-2-methyl-1-pyridin-3-ylsulfonylindol-3-yl)acetic acid
SMILESCc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1cccnc1
InChIInChI=1S/C16H13FN2O4S/c1-10-13(8-16(20)21)14-7-11(17)4-5-15(14)19(10)24(22,23)12-3-2-6-18-9-12/h2-7,9H,8H2,1H3,(H,20,21)
InChIKeyVCKSHOVPZAWRTQ-UHFFFAOYSA-N
XLogP2.35
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-fluoro-2-methyl-1-(4-methylsulfonylphenyl)sulfonylindol-3-yl]acetic acid
CID 11407637
2-[5-fluoro-2-methyl-1-[3-(trifluoromethylsulfonyl)phenyl]sulfonylindol-3-yl]acetic acid
CID 11352062
2-[1-[3-(dimethylcarbamoyl)phenyl]sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid
CID 11339083
2-[5-fluoro-2-methyl-1-[4-[(5-methyl-3-pyridinyl)amino]phenyl]sulfonylindol-3-yl]acetic acid
CID 91233530
2-[5-fluoro-2-methyl-1-[[6-(N-methyl-3-methylsulfonylanilino)-3-pyridinyl]sulfonyl]indol-3-yl]acetic acid
CID 91564511
2-[5-fluoro-2-methyl-1-(4-methylnaphthalen-1-yl)sulfonylindol-3-yl]acetic acid
CID 11418447
2-(1-benzylsulfonyl-5-fluoro-2-methylindol-3-yl)acetic acid
CID 11473905
2-[5-fluoro-2-methyl-1-[4-[methyl(1,3-thiazol-2-yl)amino]phenyl]sulfonylindol-3-yl]acetic acid
CID 91113852
2-[5-fluoro-2-methyl-1-[4-(1,2-oxazol-3-ylamino)phenyl]sulfonylindol-3-yl]acetic acid
CID 11464546
2-[5-fluoro-2-methyl-1-[4-(1,2-oxazol-3-ylmethylamino)phenyl]sulfonylindol-3-yl]acetic acid
CID 90727665
methyl 2-[5-methoxy-2-methyl-1-pyridin-3-ylsulfonyl-6-(trifluoromethyl)indol-3-yl]acetate
CID 46216454
2-[1-(4-chlorophenyl)sulfonyl-5-cyano-2-methylindol-3-yl]acetic acid
CID 11338250

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-1-pyridin-3-ylsulfonylindol-3-yl)acetic acid?
The IUPAC name of 2-(5-fluoro-2-methyl-1-pyridin-3-ylsulfonylindol-3-yl)acetic acid (CID 11198842) is 2-(5-fluoro-2-methyl-1-pyridin-3-ylsulfonylindol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-2-methyl-1-pyridin-3-ylsulfonylindol-3-yl)acetic acid?
The canonical SMILES for 2-(5-fluoro-2-methyl-1-pyridin-3-ylsulfonylindol-3-yl)acetic acid is Cc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1cccnc1.
What is the InChIKey of 2-(5-fluoro-2-methyl-1-pyridin-3-ylsulfonylindol-3-yl)acetic acid?
The InChIKey is VCKSHOVPZAWRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O4S/c1-10-13(8-16(20)21)14-7-11(17)4-5-15(14)19(10)24(22,23)12-3-2-6-18-9-12/h2-7,9H,8H2,1H3,(H,20,21).
What are the key properties of 2-(5-fluoro-2-methyl-1-pyridin-3-ylsulfonylindol-3-yl)acetic acid?
2-(5-fluoro-2-methyl-1-pyridin-3-ylsulfonylindol-3-yl)acetic acid has a molecular weight of 348.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-1-pyridin-3-ylsulfonylindol-3-yl)acetic acid is sourced from PubChem (CID 11198842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).