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

C16H15ClN2O5S — CID 174666722

IUPAC6-[(2-chlorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid
SMILESCN(c1ccccc1Cl)S(=O)(=O)c1ccc2c(c1)N(O)C(C(=O)O)C2
InChIInChI=1S/C16H15ClN2O5S/c1-18(13-5-3-2-4-12(13)17)25(23,24)11-7-6-10-8-15(16(20)21)19(22)14(10)9-11/h2-7,9,15,22H,8H2,1H3,(H,20,21)
InChIKeyKKPWWBZZCHPILQ-UHFFFAOYSA-N
MW382.83 g/mol
LogP2.37
Rot. Bonds4

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

6-[(2-chlorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid (PubChem CID 174666722) has the molecular formula C16H15ClN2O5S and a molecular weight of 382.83 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-chlorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid
PubChem CID174666722
Molecular FormulaC16H15ClN2O5S
Molecular Weight382.83 g/mol
Exact Mass382.04
IUPAC Name6-[(2-chlorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid
SMILESCN(c1ccccc1Cl)S(=O)(=O)c1ccc2c(c1)N(O)C(C(=O)O)C2
InChIInChI=1S/C16H15ClN2O5S/c1-18(13-5-3-2-4-12(13)17)25(23,24)11-7-6-10-8-15(16(20)21)19(22)14(10)9-11/h2-7,9,15,22H,8H2,1H3,(H,20,21)
InChIKeyKKPWWBZZCHPILQ-UHFFFAOYSA-N
XLogP2.37
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-fluorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid
CID 174666779
6-(4-chlorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid
CID 174666733
2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide
CID 78843267
(2S)-1-[4-(3-chlorophenyl)phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 69208495
5-[(3-hydroxycyclobutyl)-methylsulfamoyl]-2,3-dihydro-1H-indene-2-carboxylic acid
CID 166298364
N-(2-aminophenyl)-3-bromo-4-chloro-N-methylbenzenesulfonamide
CID 106605035
1-methylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 3486672
5-[2-chloro-5-[(2-fluorophenyl)-methylsulfamoyl]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid
CID 165064769
N-[4-[(2,3-dichlorophenyl)-methylsulfamoyl]phenyl]acetamide
CID 100500965
1-[4-[methyl(phenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 54792451
1-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43893462
1-[2-(2-chlorophenyl)ethenylsulfonyl]-2,3-dihydroindole-2-carboxylic acid
CID 126802773

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 6-[(2-chlorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid (CID 174666722) is 6-[(2-chlorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 6-[(2-chlorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 6-[(2-chlorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid is CN(c1ccccc1Cl)S(=O)(=O)c1ccc2c(c1)N(O)C(C(=O)O)C2.
What is the InChIKey of 6-[(2-chlorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is KKPWWBZZCHPILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5S/c1-18(13-5-3-2-4-12(13)17)25(23,24)11-7-6-10-8-15(16(20)21)19(22)14(10)9-11/h2-7,9,15,22H,8H2,1H3,(H,20,21).
What are the key properties of 6-[(2-chlorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid?
6-[(2-chlorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 382.83 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)-methylsulfamoyl]-1-hydroxy-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 174666722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).