6-bromo-7-methyl-1H-indole-3-sulfonyl chloride

C9H7BrClNO2S — CID 142393347

IUPAC6-bromo-7-methyl-1H-indole-3-sulfonyl chloride
SMILESCc1c(Br)ccc2c(S(=O)(=O)Cl)c[nH]c12
InChIInChI=1S/C9H7BrClNO2S/c1-5-7(10)3-2-6-8(15(11,13)14)4-12-9(5)6/h2-4,12H,1H3
InChIKeyBXSVXDVMXXNKGQ-UHFFFAOYSA-N
MW308.58 g/mol
LogP3.17
Rot. Bonds1

About 6-bromo-7-methyl-1H-indole-3-sulfonyl chloride

6-bromo-7-methyl-1H-indole-3-sulfonyl chloride (PubChem CID 142393347) has the molecular formula C9H7BrClNO2S and a molecular weight of 308.58 g/mol. Its IUPAC name is 6-bromo-7-methyl-1H-indole-3-sulfonyl chloride.

Molecular Properties

Compound Name6-bromo-7-methyl-1H-indole-3-sulfonyl chloride
PubChem CID142393347
Molecular FormulaC9H7BrClNO2S
Molecular Weight308.58 g/mol
Exact Mass306.91
IUPAC Name6-bromo-7-methyl-1H-indole-3-sulfonyl chloride
SMILESCc1c(Br)ccc2c(S(=O)(=O)Cl)c[nH]c12
InChIInChI=1S/C9H7BrClNO2S/c1-5-7(10)3-2-6-8(15(11,13)14)4-12-9(5)6/h2-4,12H,1H3
InChIKeyBXSVXDVMXXNKGQ-UHFFFAOYSA-N
XLogP3.17
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.58
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methyl-1H-indole-3-sulfonyl chloride?
The IUPAC name of 6-bromo-7-methyl-1H-indole-3-sulfonyl chloride (CID 142393347) is 6-bromo-7-methyl-1H-indole-3-sulfonyl chloride.
What is the SMILES notation for 6-bromo-7-methyl-1H-indole-3-sulfonyl chloride?
The canonical SMILES for 6-bromo-7-methyl-1H-indole-3-sulfonyl chloride is Cc1c(Br)ccc2c(S(=O)(=O)Cl)c[nH]c12.
What is the InChIKey of 6-bromo-7-methyl-1H-indole-3-sulfonyl chloride?
The InChIKey is BXSVXDVMXXNKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClNO2S/c1-5-7(10)3-2-6-8(15(11,13)14)4-12-9(5)6/h2-4,12H,1H3.
What are the key properties of 6-bromo-7-methyl-1H-indole-3-sulfonyl chloride?
6-bromo-7-methyl-1H-indole-3-sulfonyl chloride has a molecular weight of 308.58 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methyl-1H-indole-3-sulfonyl chloride is sourced from PubChem (CID 142393347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).