6-[(4-fluorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid

C16H15FN2O5S — CID 174666779

IUPAC6-[(4-fluorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)N(O)C(C(=O)O)C2
InChIInChI=1S/C16H15FN2O5S/c1-18(12-5-3-11(17)4-6-12)25(23,24)13-7-2-10-8-15(16(20)21)19(22)14(10)9-13/h2-7,9,15,22H,8H2,1H3,(H,20,21)
InChIKeyOLIWFUMBOPRJHT-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.86
Rot. Bonds4

About 6-[(4-fluorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid

6-[(4-fluorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid (PubChem CID 174666779) has the molecular formula C16H15FN2O5S and a molecular weight of 366.37 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-fluorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid
PubChem CID174666779
Molecular FormulaC16H15FN2O5S
Molecular Weight366.37 g/mol
Exact Mass366.07
IUPAC Name6-[(4-fluorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)N(O)C(C(=O)O)C2
InChIInChI=1S/C16H15FN2O5S/c1-18(12-5-3-11(17)4-6-12)25(23,24)13-7-2-10-8-15(16(20)21)19(22)14(10)9-13/h2-7,9,15,22H,8H2,1H3,(H,20,21)
InChIKeyOLIWFUMBOPRJHT-UHFFFAOYSA-N
XLogP1.86
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-chlorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid
CID 174666722
N-(4-fluorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49189224
4-chloro-N-(4-fluorophenyl)-N-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 26535482
2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 27537238
3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-fluorophenyl)-N-methylbenzenesulfonamide
CID 24983157
4-chloro-N-(4-fluorophenyl)-3-(3-hydroxypiperidine-1-carbonyl)-N-methylbenzenesulfonamide
CID 78800534
6-(4-chlorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid
CID 174666733
N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502341
3-chloro-N-(4-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 107090740
2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 2124982
3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94621880
2-[(4-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342880

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 6-[(4-fluorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid (CID 174666779) is 6-[(4-fluorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 6-[(4-fluorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 6-[(4-fluorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid is CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)N(O)C(C(=O)O)C2.
What is the InChIKey of 6-[(4-fluorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is OLIWFUMBOPRJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O5S/c1-18(12-5-3-11(17)4-6-12)25(23,24)13-7-2-10-8-15(16(20)21)19(22)14(10)9-13/h2-7,9,15,22H,8H2,1H3,(H,20,21).
What are the key properties of 6-[(4-fluorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid?
6-[(4-fluorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 366.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 174666779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).