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

C15H18N4O3S — CID 9330071

IUPAC(3R)-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2
InChIInChI=1S/C15H18N4O3S/c1-8-12-7-11(5-6-13(12)16-15(8)20)23(21,22)18-14-9(2)17-19(4)10(14)3/h5-8,18H,1-4H3,(H,16,20)/t8-/m1/s1
InChIKeyGVRQDZCOBBQEHV-MRVPVSSYSA-N
MW334.40 g/mol
LogP1.89
Rot. Bonds3

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

(3R)-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide (PubChem CID 9330071) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is (3R)-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(3R)-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide
PubChem CID9330071
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name(3R)-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2
InChIInChI=1S/C15H18N4O3S/c1-8-12-7-11(5-6-13(12)16-15(8)20)23(21,22)18-14-9(2)17-19(4)10(14)3/h5-8,18H,1-4H3,(H,16,20)/t8-/m1/s1
InChIKeyGVRQDZCOBBQEHV-MRVPVSSYSA-N
XLogP1.89
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of (3R)-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide (CID 9330071) is (3R)-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (3R)-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (3R)-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2.
What is the InChIKey of (3R)-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide?
The InChIKey is GVRQDZCOBBQEHV-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-8-12-7-11(5-6-13(12)16-15(8)20)23(21,22)18-14-9(2)17-19(4)10(14)3/h5-8,18H,1-4H3,(H,16,20)/t8-/m1/s1.
What are the key properties of (3R)-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide?
(3R)-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide has a molecular weight of 334.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 9330071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).