1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide

C17H22N4O3S — CID 8005415

IUPAC1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C17H22N4O3S/c1-12-17(25(23,24)19(3)4)13(2)21(18-12)11-16(22)20-10-9-14-7-5-6-8-15(14)20/h5-8H,9-11H2,1-4H3
InChIKeyRPBGQHZGQLMUMP-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.34
Rot. Bonds4

About 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide (PubChem CID 8005415) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide
PubChem CID8005415
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C17H22N4O3S/c1-12-17(25(23,24)19(3)4)13(2)21(18-12)11-16(22)20-10-9-14-7-5-6-8-15(14)20/h5-8H,9-11H2,1-4H3
InChIKeyRPBGQHZGQLMUMP-UHFFFAOYSA-N
XLogP1.34
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide (CID 8005415) is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide is Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N(C)C.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide?
The InChIKey is RPBGQHZGQLMUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-12-17(25(23,24)19(3)4)13(2)21(18-12)11-16(22)20-10-9-14-7-5-6-8-15(14)20/h5-8H,9-11H2,1-4H3.
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide?
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide has a molecular weight of 362.46 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide is sourced from PubChem (CID 8005415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).