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

C15H19NO4S — CID 61066000

IUPAC1-cyclohexylsulfonyl-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H19NO4S/c17-15(18)14-10-11-6-4-5-9-13(11)16(14)21(19,20)12-7-2-1-3-8-12/h4-6,9,12,14H,1-3,7-8,10H2,(H,17,18)
InChIKeyBFBRGVBBCMNRHV-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.16
Rot. Bonds3

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

1-cyclohexylsulfonyl-2,3-dihydroindole-2-carboxylic acid (PubChem CID 61066000) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-cyclohexylsulfonyl-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexylsulfonyl-2,3-dihydroindole-2-carboxylic acid
PubChem CID61066000
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name1-cyclohexylsulfonyl-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H19NO4S/c17-15(18)14-10-11-6-4-5-9-13(11)16(14)21(19,20)12-7-2-1-3-8-12/h4-6,9,12,14H,1-3,7-8,10H2,(H,17,18)
InChIKeyBFBRGVBBCMNRHV-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 3486672
1-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 43097620
(3R)-2-cyclopentylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 105360691
(2S)-1-tert-butylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 55232020
1-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 43106825
(2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 154745822
(2S)-1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 66845565
(2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 164640962
(3S)-2-cyclopropylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104895549
(2S)-1-(2,2,2-trifluoroethylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 104977885
1-(3-chloro-1-phenylprop-2-enyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 174407664
(2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 70189180

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfonyl-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-cyclohexylsulfonyl-2,3-dihydroindole-2-carboxylic acid (CID 61066000) is 1-cyclohexylsulfonyl-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-cyclohexylsulfonyl-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-cyclohexylsulfonyl-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccccc2N1S(=O)(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfonyl-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is BFBRGVBBCMNRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c17-15(18)14-10-11-6-4-5-9-13(11)16(14)21(19,20)12-7-2-1-3-8-12/h4-6,9,12,14H,1-3,7-8,10H2,(H,17,18).
What are the key properties of 1-cyclohexylsulfonyl-2,3-dihydroindole-2-carboxylic acid?
1-cyclohexylsulfonyl-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 2.16, 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-2-carboxylic acid is sourced from PubChem (CID 61066000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).