1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-6-carboxylic acid

C16H17N3O4S — CID 146133509

IUPAC1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)N(S(=O)(=O)c1ccnn1C1CCC1)CC2
InChIInChI=1S/C16H17N3O4S/c20-16(21)12-5-4-11-7-9-18(14(11)10-12)24(22,23)15-6-8-17-19(15)13-2-1-3-13/h4-6,8,10,13H,1-3,7,9H2,(H,20,21)
InChIKeyNPKGSKDVRMUSEI-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.06
Rot. Bonds4

About 1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-6-carboxylic acid

1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-6-carboxylic acid (PubChem CID 146133509) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-6-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-6-carboxylic acid
PubChem CID146133509
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)N(S(=O)(=O)c1ccnn1C1CCC1)CC2
InChIInChI=1S/C16H17N3O4S/c20-16(21)12-5-4-11-7-9-18(14(11)10-12)24(22,23)15-6-8-17-19(15)13-2-1-3-13/h4-6,8,10,13H,1-3,7,9H2,(H,20,21)
InChIKeyNPKGSKDVRMUSEI-UHFFFAOYSA-N
XLogP2.06
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropylsulfonyl-2,3-dihydroindole-6-carboxylic acid
CID 113382377
1-(methylsulfamoyl)-2,3-dihydroindole-6-carboxylic acid
CID 114807060
1-(1,4-oxazepan-4-ylsulfonyl)-2,3-dihydroindole-6-carboxylic acid
CID 146077431
1-propylsulfonyl-2,3-dihydroindole-6-carboxylic acid
CID 113382378
1-(oxan-4-ylsulfonyl)-2,3-dihydroindole-6-carboxamide
CID 176666413
1-methylsulfonyl-2,3-dihydroindole-6-carboxamide;2,2,2-trifluoroacetic acid
CID 162309885
1-(benzenesulfonyl)-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-6-carboxamide
CID 53160533
1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroindole-6-carboxylic acid
CID 154784937
1-cyclohexylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 61066001
2-cyclopentylpyrazole-3-sulfonyl chloride
CID 50896655
1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,2-dimethyl-3H-indole
CID 146106156
N-methyl-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160438

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-6-carboxylic acid?
The IUPAC name of 1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-6-carboxylic acid (CID 146133509) is 1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-6-carboxylic acid.
What is the SMILES notation for 1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-6-carboxylic acid?
The canonical SMILES for 1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-6-carboxylic acid is O=C(O)c1ccc2c(c1)N(S(=O)(=O)c1ccnn1C1CCC1)CC2.
What is the InChIKey of 1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-6-carboxylic acid?
The InChIKey is NPKGSKDVRMUSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c20-16(21)12-5-4-11-7-9-18(14(11)10-12)24(22,23)15-6-8-17-19(15)13-2-1-3-13/h4-6,8,10,13H,1-3,7,9H2,(H,20,21).
What are the key properties of 1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-6-carboxylic acid?
1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-6-carboxylic acid has a molecular weight of 347.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-6-carboxylic acid is sourced from PubChem (CID 146133509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).