(2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid

C15H22N2O4S — CID 154745822

IUPAC(2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCCCN(CCC)S(=O)(=O)N1c2ccccc2C[C@H]1C(=O)O
InChIInChI=1S/C15H22N2O4S/c1-3-9-16(10-4-2)22(20,21)17-13-8-6-5-7-12(13)11-14(17)15(18)19/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyIVWUKRMCJZMWJC-AWEZNQCLSA-N
MW326.42 g/mol
LogP1.87
Rot. Bonds7

About (2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid

(2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 154745822) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is (2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID154745822
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name(2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCCCN(CCC)S(=O)(=O)N1c2ccccc2C[C@H]1C(=O)O
InChIInChI=1S/C15H22N2O4S/c1-3-9-16(10-4-2)22(20,21)17-13-8-6-5-7-12(13)11-14(17)15(18)19/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyIVWUKRMCJZMWJC-AWEZNQCLSA-N
XLogP1.87
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 3486672
(2S)-1-tert-butylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 55232020
1-propyl-2,3-dihydroindole-2-carboxylic acid
CID 80566723
1-cyclohexylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 61066000
1-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 43097620
(2S)-1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 66845565
(2S)-1-(2,2,2-trifluoroethylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 104977885
1-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 43106825
1-heptanoyl-2,3-dihydroindole-2-carboxylic acid
CID 43359818
(2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 70189180
(2R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 99635051
1-[2-(2-chlorophenyl)ethenylsulfonyl]-2,3-dihydroindole-2-carboxylic acid
CID 126802773

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of (2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid (CID 154745822) is (2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for (2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid is CCCN(CCC)S(=O)(=O)N1c2ccccc2C[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is IVWUKRMCJZMWJC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-9-16(10-4-2)22(20,21)17-13-8-6-5-7-12(13)11-14(17)15(18)19/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid?
(2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 326.42 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 154745822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).