6-bromo-7-(1-methylpyrazol-4-yl)-1H-indole-3-sulfonyl chloride

C12H9BrClN3O2S — CID 170742571

IUPAC6-bromo-7-(1-methylpyrazol-4-yl)-1H-indole-3-sulfonyl chloride
SMILESCn1cc(-c2c(Br)ccc3c(S(=O)(=O)Cl)c[nH]c23)cn1
InChIInChI=1S/C12H9BrClN3O2S/c1-17-6-7(4-16-17)11-9(13)3-2-8-10(20(14,18)19)5-15-12(8)11/h2-6,15H,1H3
InChIKeyANDWBIKGIWHQLO-UHFFFAOYSA-N
MW374.65 g/mol
LogP3.26
Rot. Bonds2

About 6-bromo-7-(1-methylpyrazol-4-yl)-1H-indole-3-sulfonyl chloride

6-bromo-7-(1-methylpyrazol-4-yl)-1H-indole-3-sulfonyl chloride (PubChem CID 170742571) has the molecular formula C12H9BrClN3O2S and a molecular weight of 374.65 g/mol. Its IUPAC name is 6-bromo-7-(1-methylpyrazol-4-yl)-1H-indole-3-sulfonyl chloride.

Molecular Properties

Compound Name6-bromo-7-(1-methylpyrazol-4-yl)-1H-indole-3-sulfonyl chloride
PubChem CID170742571
Molecular FormulaC12H9BrClN3O2S
Molecular Weight374.65 g/mol
Exact Mass372.93
IUPAC Name6-bromo-7-(1-methylpyrazol-4-yl)-1H-indole-3-sulfonyl chloride
SMILESCn1cc(-c2c(Br)ccc3c(S(=O)(=O)Cl)c[nH]c23)cn1
InChIInChI=1S/C12H9BrClN3O2S/c1-17-6-7(4-16-17)11-9(13)3-2-8-10(20(14,18)19)5-15-12(8)11/h2-6,15H,1H3
InChIKeyANDWBIKGIWHQLO-UHFFFAOYSA-N
XLogP3.26
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.65
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(1H-indol-3-yl)ethyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 19615332
N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 56876337
1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 19590001
1-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 19615339
4-bromo-2-(1-methylpyrazol-4-yl)-1H-indole
CID 97772502
6-bromo-7-methyl-1H-indole-3-sulfinate
CID 135201154
6-Bromo-7-methyl-1H-indole-3-sulfonyl chloride
CID 142393347
7-bromo-N-(1H-pyrazol-4-yl)-1H-indole-3-sulfonamide
CID 166293835
6-bromo-7-pyrazin-2-yl-1H-indole-3-sulfonyl chloride
CID 170742540
7-(4-methylpyridazin-3-yl)-1H-indole-3-sulfonyl chloride
CID 170742584
6-bromo-7-pyridazin-3-yl-1H-indole-3-sulfonyl chloride
CID 170742672
6-bromo-7-pyrazol-1-yl-1H-indole-3-sulfonyl chloride
CID 170742766

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-(1-methylpyrazol-4-yl)-1H-indole-3-sulfonyl chloride?
The IUPAC name of 6-bromo-7-(1-methylpyrazol-4-yl)-1H-indole-3-sulfonyl chloride (CID 170742571) is 6-bromo-7-(1-methylpyrazol-4-yl)-1H-indole-3-sulfonyl chloride.
What is the SMILES notation for 6-bromo-7-(1-methylpyrazol-4-yl)-1H-indole-3-sulfonyl chloride?
The canonical SMILES for 6-bromo-7-(1-methylpyrazol-4-yl)-1H-indole-3-sulfonyl chloride is Cn1cc(-c2c(Br)ccc3c(S(=O)(=O)Cl)c[nH]c23)cn1.
What is the InChIKey of 6-bromo-7-(1-methylpyrazol-4-yl)-1H-indole-3-sulfonyl chloride?
The InChIKey is ANDWBIKGIWHQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O2S/c1-17-6-7(4-16-17)11-9(13)3-2-8-10(20(14,18)19)5-15-12(8)11/h2-6,15H,1H3.
What are the key properties of 6-bromo-7-(1-methylpyrazol-4-yl)-1H-indole-3-sulfonyl chloride?
6-bromo-7-(1-methylpyrazol-4-yl)-1H-indole-3-sulfonyl chloride has a molecular weight of 374.65 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-(1-methylpyrazol-4-yl)-1H-indole-3-sulfonyl chloride is sourced from PubChem (CID 170742571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).