1-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydroindole-5-sulfonamide

C16H20N4O3S — CID 17484664

IUPAC1-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)Nc3c(C)nn(C)c3C)ccc21
InChIInChI=1S/C16H20N4O3S/c1-10-16(11(2)19(4)17-10)18-24(22,23)14-5-6-15-13(9-14)7-8-20(15)12(3)21/h5-6,9,18H,7-8H2,1-4H3
InChIKeyICTGFPGFOKLTQX-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.75
Rot. Bonds3

About 1-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 17484664) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydroindole-5-sulfonamide
PubChem CID17484664
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name1-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)Nc3c(C)nn(C)c3C)ccc21
InChIInChI=1S/C16H20N4O3S/c1-10-16(11(2)19(4)17-10)18-24(22,23)14-5-6-15-13(9-14)7-8-20(15)12(3)21/h5-6,9,18H,7-8H2,1-4H3
InChIKeyICTGFPGFOKLTQX-UHFFFAOYSA-N
XLogP1.75
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 3164045
2,6-Dimethyl-4-(2-oxo-1-pyrrolidinyl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 1503610
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 9551544
N-tert-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 8901127
2-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 3164046
2-oxo-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 7586484
N-{4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfamoyl]phenyl}acetamide
CID 7762538
1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]indoline
CID 3242394
1-[[4-(3,5-Dimethylpyrazol-1-yl)phenyl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 45881129
US9156811, Ddd88640
CID 58561294
US9156811, Ddd73243
CID 58561337
N-{[5-(3-Fluorobenzenesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]methyl}-N-phenylacetamide
CID 53019203

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydroindole-5-sulfonamide (CID 17484664) is 1-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)Nc3c(C)nn(C)c3C)ccc21.
What is the InChIKey of 1-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is ICTGFPGFOKLTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-10-16(11(2)19(4)17-10)18-24(22,23)14-5-6-15-13(9-14)7-8-20(15)12(3)21/h5-6,9,18H,7-8H2,1-4H3.
What are the key properties of 1-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 348.43 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 17484664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).