2-[5-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-2-methylindol-1-yl]acetic acid

C18H17FN2O5S — CID 11417943

IUPAC2-[5-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-2-methylindol-1-yl]acetic acid
SMILESCOc1ccccc1NS(=O)(=O)c1c(C)n(CC(=O)O)c2ccc(F)cc12
InChIInChI=1S/C18H17FN2O5S/c1-11-18(27(24,25)20-14-5-3-4-6-16(14)26-2)13-9-12(19)7-8-15(13)21(11)10-17(22)23/h3-9,20H,10H2,1-2H3,(H,22,23)
InChIKeyYBKSZTQAAOYYOH-UHFFFAOYSA-N
MW392.41 g/mol
LogP2.98
Rot. Bonds6

About 2-[5-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-2-methylindol-1-yl]acetic acid

2-[5-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-2-methylindol-1-yl]acetic acid (PubChem CID 11417943) has the molecular formula C18H17FN2O5S and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-[5-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-2-methylindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-2-methylindol-1-yl]acetic acid
PubChem CID11417943
Molecular FormulaC18H17FN2O5S
Molecular Weight392.41 g/mol
Exact Mass392.08
IUPAC Name2-[5-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-2-methylindol-1-yl]acetic acid
SMILESCOc1ccccc1NS(=O)(=O)c1c(C)n(CC(=O)O)c2ccc(F)cc12
InChIInChI=1S/C18H17FN2O5S/c1-11-18(27(24,25)20-14-5-3-4-6-16(14)26-2)13-9-12(19)7-8-15(13)21(11)10-17(22)23/h3-9,20H,10H2,1-2H3,(H,22,23)
InChIKeyYBKSZTQAAOYYOH-UHFFFAOYSA-N
XLogP2.98
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-fluoro-2-methyl-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetic acid
CID 11314477
2-[5-fluoro-3-[fluoro(phenyl)sulfamoyl]-2-methylindol-1-yl]acetic acid
CID 91058598
2-(3-benzylsulfanyl-5-fluoro-2-methylindol-1-yl)acetic acid
CID 69457532
2-[3-(2-chlorophenoxy)sulfonyl-2-methyl-5-(sulfinomethylamino)indol-1-yl]acetic acid
CID 174739753
ethyl 4-[(2-methoxyphenyl)sulfamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 53059394
2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid
CID 82696049
2-(4-methoxy-2-methylindol-1-yl)acetic acid
CID 18735254
2-[5-fluoro-2-methyl-3-[[3-(propylsulfamoyl)phenyl]methyl]indol-1-yl]acetic acid
CID 67159649
2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2137124
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43255479
2-[5-fluoro-2-methyl-3-[3-[(4-methylphenyl)sulfonylamino]cyclobutyl]indol-1-yl]acetic acid
CID 130433688

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-2-methylindol-1-yl]acetic acid?
The IUPAC name of 2-[5-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-2-methylindol-1-yl]acetic acid (CID 11417943) is 2-[5-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-2-methylindol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-2-methylindol-1-yl]acetic acid?
The canonical SMILES for 2-[5-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-2-methylindol-1-yl]acetic acid is COc1ccccc1NS(=O)(=O)c1c(C)n(CC(=O)O)c2ccc(F)cc12.
What is the InChIKey of 2-[5-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-2-methylindol-1-yl]acetic acid?
The InChIKey is YBKSZTQAAOYYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O5S/c1-11-18(27(24,25)20-14-5-3-4-6-16(14)26-2)13-9-12(19)7-8-15(13)21(11)10-17(22)23/h3-9,20H,10H2,1-2H3,(H,22,23).
What are the key properties of 2-[5-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-2-methylindol-1-yl]acetic acid?
2-[5-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-2-methylindol-1-yl]acetic acid has a molecular weight of 392.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-2-methylindol-1-yl]acetic acid is sourced from PubChem (CID 11417943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).