4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid

C17H22N2O5S — CID 120673855

IUPAC4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1CCC(C(=O)O)CC1)CC2
InChIInChI=1S/C17H22N2O5S/c1-18-25(23,24)14-7-6-11-8-9-19(15(11)10-14)16(20)12-2-4-13(5-3-12)17(21)22/h6-7,10,12-13,18H,2-5,8-9H2,1H3,(H,21,22)
InChIKeyKHRHTMDMQWSJQB-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.37
Rot. Bonds4

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

4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 120673855) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID120673855
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Name4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1CCC(C(=O)O)CC1)CC2
InChIInChI=1S/C17H22N2O5S/c1-18-25(23,24)14-7-6-11-8-9-19(15(11)10-14)16(20)12-2-4-13(5-3-12)17(21)22/h6-7,10,12-13,18H,2-5,8-9H2,1H3,(H,21,22)
InChIKeyKHRHTMDMQWSJQB-UHFFFAOYSA-N
XLogP1.37
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S,3S)-3-aminocyclopentanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 124689464
1-(3-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119802266
1-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 167752448
N-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 120635833
1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride
CID 54594046
1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 119334261
1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide
CID 75422244
N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 6621773
1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119334262
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853260
1-(cyclopropanecarbonyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 100738258

Frequently Asked Questions

What is the IUPAC name of 4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid (CID 120673855) is 4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid is CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1CCC(C(=O)O)CC1)CC2.
What is the InChIKey of 4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is KHRHTMDMQWSJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-18-25(23,24)14-7-6-11-8-9-19(15(11)10-14)16(20)12-2-4-13(5-3-12)17(21)22/h6-7,10,12-13,18H,2-5,8-9H2,1H3,(H,21,22).
What are the key properties of 4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid?
4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 366.44 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).