7-(4-methylpyridazin-3-yl)-1H-indole-3-sulfonyl chloride

C13H10ClN3O2S — CID 170742584

IUPAC7-(4-methylpyridazin-3-yl)-1H-indole-3-sulfonyl chloride
SMILESCc1ccnnc1-c1cccc2c(S(=O)(=O)Cl)c[nH]c12
InChIInChI=1S/C13H10ClN3O2S/c1-8-5-6-16-17-12(8)10-4-2-3-9-11(20(14,18)19)7-15-13(9)10/h2-7,15H,1H3
InChIKeyBECXCXJNXJIERK-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.86
Rot. Bonds2

About 7-(4-methylpyridazin-3-yl)-1H-indole-3-sulfonyl chloride

7-(4-methylpyridazin-3-yl)-1H-indole-3-sulfonyl chloride (PubChem CID 170742584) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is 7-(4-methylpyridazin-3-yl)-1H-indole-3-sulfonyl chloride.

Molecular Properties

Compound Name7-(4-methylpyridazin-3-yl)-1H-indole-3-sulfonyl chloride
PubChem CID170742584
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC Name7-(4-methylpyridazin-3-yl)-1H-indole-3-sulfonyl chloride
SMILESCc1ccnnc1-c1cccc2c(S(=O)(=O)Cl)c[nH]c12
InChIInChI=1S/C13H10ClN3O2S/c1-8-5-6-16-17-12(8)10-4-2-3-9-11(20(14,18)19)7-15-13(9)10/h2-7,15H,1H3
InChIKeyBECXCXJNXJIERK-UHFFFAOYSA-N
XLogP2.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpyridazin-3-yl)-1H-indole-3-sulfonyl chloride?
The IUPAC name of 7-(4-methylpyridazin-3-yl)-1H-indole-3-sulfonyl chloride (CID 170742584) is 7-(4-methylpyridazin-3-yl)-1H-indole-3-sulfonyl chloride.
What is the SMILES notation for 7-(4-methylpyridazin-3-yl)-1H-indole-3-sulfonyl chloride?
The canonical SMILES for 7-(4-methylpyridazin-3-yl)-1H-indole-3-sulfonyl chloride is Cc1ccnnc1-c1cccc2c(S(=O)(=O)Cl)c[nH]c12.
What is the InChIKey of 7-(4-methylpyridazin-3-yl)-1H-indole-3-sulfonyl chloride?
The InChIKey is BECXCXJNXJIERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c1-8-5-6-16-17-12(8)10-4-2-3-9-11(20(14,18)19)7-15-13(9)10/h2-7,15H,1H3.
What are the key properties of 7-(4-methylpyridazin-3-yl)-1H-indole-3-sulfonyl chloride?
7-(4-methylpyridazin-3-yl)-1H-indole-3-sulfonyl chloride has a molecular weight of 307.76 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpyridazin-3-yl)-1H-indole-3-sulfonyl chloride is sourced from PubChem (CID 170742584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).