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

C14H16N4O3S — CID 8015534

IUPAC2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H16N4O3S/c1-8-14(9(2)18(3)16-8)17-22(20,21)11-4-5-12-10(6-11)7-13(19)15-12/h4-6,17H,7H2,1-3H3,(H,15,19)
InChIKeyGUDCCJQUOSSOLO-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.33
Rot. Bonds3

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

2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide (PubChem CID 8015534) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide
PubChem CID8015534
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H16N4O3S/c1-8-14(9(2)18(3)16-8)17-22(20,21)11-4-5-12-10(6-11)7-13(19)15-12/h4-6,17H,7H2,1-3H3,(H,15,19)
InChIKeyGUDCCJQUOSSOLO-UHFFFAOYSA-N
XLogP1.33
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 3164045
CID 3164045
CID 894979
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CID 8901127
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CID 3164046
CID 3164046
CID 7586484
CID 7586484
CID 17484664
CID 17484664
CID 37242368
CID 37242368
CID 70710864
CID 70710864
CID 70781783
CID 70781783
CID 91904601
CID 91904601
CID 16303962
CID 16303962
CID 8005415
CID 8005415

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide (CID 8015534) is 2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide?
The InChIKey is GUDCCJQUOSSOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-8-14(9(2)18(3)16-8)17-22(20,21)11-4-5-12-10(6-11)7-13(19)15-12/h4-6,17H,7H2,1-3H3,(H,15,19).
What are the key properties of 2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide?
2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide has a molecular weight of 320.37 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 8015534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).