1-cyclohexylsulfonyl-2,3-dihydroindole-5-carboxylic acid

C15H19NO4S — CID 61066001

IUPAC1-cyclohexylsulfonyl-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2S(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H19NO4S/c17-15(18)12-6-7-14-11(10-12)8-9-16(14)21(19,20)13-4-2-1-3-5-13/h6-7,10,13H,1-5,8-9H2,(H,17,18)
InChIKeyMFASMTZZXDCECF-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.41
Rot. Bonds3

About 1-cyclohexylsulfonyl-2,3-dihydroindole-5-carboxylic acid

1-cyclohexylsulfonyl-2,3-dihydroindole-5-carboxylic acid (PubChem CID 61066001) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-cyclohexylsulfonyl-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexylsulfonyl-2,3-dihydroindole-5-carboxylic acid
PubChem CID61066001
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name1-cyclohexylsulfonyl-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2S(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H19NO4S/c17-15(18)12-6-7-14-11(10-12)8-9-16(14)21(19,20)13-4-2-1-3-5-13/h6-7,10,13H,1-5,8-9H2,(H,17,18)
InChIKeyMFASMTZZXDCECF-UHFFFAOYSA-N
XLogP2.41
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropylsulfonyl-2,3-dihydroindole-6-carboxylic acid
CID 113382377
1-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)ethanamine
CID 102661303
1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349399
1-(ethylsulfamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 114805400
N-(2-cyclohexylethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46481193
6-bromo-1-cyclopropylsulfonyl-3,4-dihydro-2H-quinoline
CID 176658466
1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61181121
1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2,3-dihydroindole-5-carboxamide
CID 23608855
1-(3-bromothiophen-2-yl)sulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 61062442
1-(2-phenylethenylsulfonyl)-2,3-dihydroindole-5-carboxylic acid
CID 78829266
N-(4-cyclopentylsulfonylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55611137
4-[(5-acetyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 110737435

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfonyl-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-cyclohexylsulfonyl-2,3-dihydroindole-5-carboxylic acid (CID 61066001) is 1-cyclohexylsulfonyl-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-cyclohexylsulfonyl-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-cyclohexylsulfonyl-2,3-dihydroindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)CCN2S(=O)(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfonyl-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is MFASMTZZXDCECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c17-15(18)12-6-7-14-11(10-12)8-9-16(14)21(19,20)13-4-2-1-3-5-13/h6-7,10,13H,1-5,8-9H2,(H,17,18).
What are the key properties of 1-cyclohexylsulfonyl-2,3-dihydroindole-5-carboxylic acid?
1-cyclohexylsulfonyl-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfonyl-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 61066001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).