1-(1H-pyrazole-4-carbonyl)-2,3-dihydroindole-5-sulfonamide

C12H12N4O3S — CID 63081047

IUPAC1-(1H-pyrazole-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cn[nH]c1
InChIInChI=1S/C12H12N4O3S/c13-20(18,19)10-1-2-11-8(5-10)3-4-16(11)12(17)9-6-14-15-7-9/h1-2,5-7H,3-4H2,(H,14,15)(H2,13,18,19)
InChIKeyNSEIKGHFCFUGPU-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.26
Rot. Bonds2

About 1-(1H-pyrazole-4-carbonyl)-2,3-dihydroindole-5-sulfonamide

1-(1H-pyrazole-4-carbonyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 63081047) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 1-(1H-pyrazole-4-carbonyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(1H-pyrazole-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID63081047
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name1-(1H-pyrazole-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cn[nH]c1
InChIInChI=1S/C12H12N4O3S/c13-20(18,19)10-1-2-11-8(5-10)3-4-16(11)12(17)9-6-14-15-7-9/h1-2,5-7H,3-4H2,(H,14,15)(H2,13,18,19)
InChIKeyNSEIKGHFCFUGPU-UHFFFAOYSA-N
XLogP0.26
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1H-pyrrole-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 60698896
1-(5-bromothiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 107965281
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide
CID 57047254
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 79807783
1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 107002948
1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 60698710
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18286340
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] naphthalene-2-carboxylate
CID 27310904
1H-pyrazol-4-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone
CID 63100676

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazole-4-carbonyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(1H-pyrazole-4-carbonyl)-2,3-dihydroindole-5-sulfonamide (CID 63081047) is 1-(1H-pyrazole-4-carbonyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(1H-pyrazole-4-carbonyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(1H-pyrazole-4-carbonyl)-2,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cn[nH]c1.
What is the InChIKey of 1-(1H-pyrazole-4-carbonyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is NSEIKGHFCFUGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c13-20(18,19)10-1-2-11-8(5-10)3-4-16(11)12(17)9-6-14-15-7-9/h1-2,5-7H,3-4H2,(H,14,15)(H2,13,18,19).
What are the key properties of 1-(1H-pyrazole-4-carbonyl)-2,3-dihydroindole-5-sulfonamide?
1-(1H-pyrazole-4-carbonyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 292.32 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazole-4-carbonyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 63081047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).