6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfinamide

C13H13ClN4OS — CID 176710844

IUPAC6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfinamide
SMILESCc1[nH]nc(NS(=O)c2c[nH]c3cc(Cl)ccc23)c1C
InChIInChI=1S/C13H13ClN4OS/c1-7-8(2)16-17-13(7)18-20(19)12-6-15-11-5-9(14)3-4-10(11)12/h3-6,15H,1-2H3,(H2,16,17,18)
InChIKeyNLVOXYQTODJVAB-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.30
Rot. Bonds3

About 6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfinamide

6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfinamide (PubChem CID 176710844) has the molecular formula C13H13ClN4OS and a molecular weight of 308.79 g/mol. Its IUPAC name is 6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfinamide.

Molecular Properties

Compound Name6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfinamide
PubChem CID176710844
Molecular FormulaC13H13ClN4OS
Molecular Weight308.79 g/mol
Exact Mass308.05
IUPAC Name6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfinamide
SMILESCc1[nH]nc(NS(=O)c2c[nH]c3cc(Cl)ccc23)c1C
InChIInChI=1S/C13H13ClN4OS/c1-7-8(2)16-17-13(7)18-20(19)12-6-15-11-5-9(14)3-4-10(11)12/h3-6,15H,1-2H3,(H2,16,17,18)
InChIKeyNLVOXYQTODJVAB-UHFFFAOYSA-N
XLogP3.30
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfinamide?
The IUPAC name of 6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfinamide (CID 176710844) is 6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfinamide.
What is the SMILES notation for 6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfinamide?
The canonical SMILES for 6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfinamide is Cc1[nH]nc(NS(=O)c2c[nH]c3cc(Cl)ccc23)c1C.
What is the InChIKey of 6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfinamide?
The InChIKey is NLVOXYQTODJVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4OS/c1-7-8(2)16-17-13(7)18-20(19)12-6-15-11-5-9(14)3-4-10(11)12/h3-6,15H,1-2H3,(H2,16,17,18).
What are the key properties of 6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfinamide?
6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfinamide has a molecular weight of 308.79 g/mol, XLogP of 3.30, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfinamide is sourced from PubChem (CID 176710844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).