6-bromo-N-(5-methyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide

C12H11BrN4O3S — CID 83231282

IUPAC6-bromo-N-(5-methyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc3c(cc2Br)NC(=O)C3)n[nH]1
InChIInChI=1S/C12H11BrN4O3S/c1-6-2-11(16-15-6)17-21(19,20)10-3-7-4-12(18)14-9(7)5-8(10)13/h2-3,5H,4H2,1H3,(H,14,18)(H2,15,16,17)
InChIKeyTUDFEPWYRRIWKE-UHFFFAOYSA-N
MW371.22 g/mol
LogP1.78
Rot. Bonds3

About 6-bromo-N-(5-methyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide

6-bromo-N-(5-methyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 83231282) has the molecular formula C12H11BrN4O3S and a molecular weight of 371.22 g/mol. Its IUPAC name is 6-bromo-N-(5-methyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-(5-methyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID83231282
Molecular FormulaC12H11BrN4O3S
Molecular Weight371.22 g/mol
Exact Mass369.97
IUPAC Name6-bromo-N-(5-methyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc3c(cc2Br)NC(=O)C3)n[nH]1
InChIInChI=1S/C12H11BrN4O3S/c1-6-2-11(16-15-6)17-21(19,20)10-3-7-4-12(18)14-9(7)5-8(10)13/h2-3,5H,4H2,1H3,(H,14,18)(H2,15,16,17)
InChIKeyTUDFEPWYRRIWKE-UHFFFAOYSA-N
XLogP1.78
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(5-methyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 6-bromo-N-(5-methyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 83231282) is 6-bromo-N-(5-methyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 6-bromo-N-(5-methyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 6-bromo-N-(5-methyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide is Cc1cc(NS(=O)(=O)c2cc3c(cc2Br)NC(=O)C3)n[nH]1.
What is the InChIKey of 6-bromo-N-(5-methyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is TUDFEPWYRRIWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O3S/c1-6-2-11(16-15-6)17-21(19,20)10-3-7-4-12(18)14-9(7)5-8(10)13/h2-3,5H,4H2,1H3,(H,14,18)(H2,15,16,17).
What are the key properties of 6-bromo-N-(5-methyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
6-bromo-N-(5-methyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 371.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(5-methyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 83231282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).