1,3-dimethylindole-5-sulfonyl chloride

C10H10ClNO2S — CID 83825091

IUPAC1,3-dimethylindole-5-sulfonyl chloride
SMILESCc1cn(C)c2ccc(S(=O)(=O)Cl)cc12
InChIInChI=1S/C10H10ClNO2S/c1-7-6-12(2)10-4-3-8(5-9(7)10)15(11,13)14/h3-6H,1-2H3
InChIKeyKRQLMEANKIEHRQ-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.41
Rot. Bonds1

About 1,3-dimethylindole-5-sulfonyl chloride

1,3-dimethylindole-5-sulfonyl chloride (PubChem CID 83825091) has the molecular formula C10H10ClNO2S and a molecular weight of 243.72 g/mol. Its IUPAC name is 1,3-dimethylindole-5-sulfonyl chloride.

Molecular Properties

Compound Name1,3-dimethylindole-5-sulfonyl chloride
PubChem CID83825091
Molecular FormulaC10H10ClNO2S
Molecular Weight243.72 g/mol
Exact Mass243.01
IUPAC Name1,3-dimethylindole-5-sulfonyl chloride
SMILESCc1cn(C)c2ccc(S(=O)(=O)Cl)cc12
InChIInChI=1S/C10H10ClNO2S/c1-7-6-12(2)10-4-3-8(5-9(7)10)15(11,13)14/h3-6H,1-2H3
InChIKeyKRQLMEANKIEHRQ-UHFFFAOYSA-N
XLogP2.41
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylindole
CID 169298772
1-methyl-4-oxoquinoline-7-sulfonyl chloride
CID 102028826
5-tert-butyl-1,3-dimethylindole
CID 82491537
1-methylindole-3-sulfonyl chloride
CID 55280184
N-(1,3-dimethylindol-6-yl)-4-methylbenzenesulfonamide
CID 169371827
3-methyl-4-sulfamoylbenzenesulfonyl chloride
CID 63179688
3-methyl-1-benzothiophene-5-sulfonyl chloride
CID 82384166
1,3-dimethylindole-5-carbohydrazide
CID 169299009
3-hydroxy-4-methylbenzenesulfonyl chloride
CID 55279954
1,3-dimethyl-5-pyrimidin-5-ylindole
CID 170299618
1-methylbenzotriazole-5-sulfonyl chloride
CID 83671062
3-methyl-2-oxo-1,3-benzothiazole-6-sulfonyl chloride
CID 4912760

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylindole-5-sulfonyl chloride?
The IUPAC name of 1,3-dimethylindole-5-sulfonyl chloride (CID 83825091) is 1,3-dimethylindole-5-sulfonyl chloride.
What is the SMILES notation for 1,3-dimethylindole-5-sulfonyl chloride?
The canonical SMILES for 1,3-dimethylindole-5-sulfonyl chloride is Cc1cn(C)c2ccc(S(=O)(=O)Cl)cc12.
What is the InChIKey of 1,3-dimethylindole-5-sulfonyl chloride?
The InChIKey is KRQLMEANKIEHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2S/c1-7-6-12(2)10-4-3-8(5-9(7)10)15(11,13)14/h3-6H,1-2H3.
What are the key properties of 1,3-dimethylindole-5-sulfonyl chloride?
1,3-dimethylindole-5-sulfonyl chloride has a molecular weight of 243.72 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylindole-5-sulfonyl chloride is sourced from PubChem (CID 83825091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).