1-methylindole-3-sulfonyl chloride

C9H8ClNO2S — CID 55280184

IUPAC1-methylindole-3-sulfonyl chloride
SMILESCn1cc(S(=O)(=O)Cl)c2ccccc21
InChIInChI=1S/C9H8ClNO2S/c1-11-6-9(14(10,12)13)7-4-2-3-5-8(7)11/h2-6H,1H3
InChIKeyAKMBTZLSBMNKPJ-UHFFFAOYSA-N
MW229.69 g/mol
LogP2.11
Rot. Bonds1

About 1-methylindole-3-sulfonyl chloride

1-methylindole-3-sulfonyl chloride (PubChem CID 55280184) has the molecular formula C9H8ClNO2S and a molecular weight of 229.69 g/mol. Its IUPAC name is 1-methylindole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-methylindole-3-sulfonyl chloride
PubChem CID55280184
Molecular FormulaC9H8ClNO2S
Molecular Weight229.69 g/mol
Exact Mass229.00
IUPAC Name1-methylindole-3-sulfonyl chloride
SMILESCn1cc(S(=O)(=O)Cl)c2ccccc21
InChIInChI=1S/C9H8ClNO2S/c1-11-6-9(14(10,12)13)7-4-2-3-5-8(7)11/h2-6H,1H3
InChIKeyAKMBTZLSBMNKPJ-UHFFFAOYSA-N
XLogP2.11
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylindole-3-sulfonamide
CID 18331867
N-hydroxy-1-methylindole-3-sulfonamide
CID 82287794
2-methyl-2-(1-methylindol-3-yl)sulfonylpropan-1-ol
CID 116855264
1-[(1-methylimidazol-2-yl)methyl]indole-3-sulfonyl chloride
CID 82914378
2-(1-methylindol-3-yl)ethanesulfonyl chloride
CID 82483252
1-prop-2-enylindole-3-sulfonyl chloride
CID 82915352
1-[(E)-2,3-dichloroprop-2-enyl]indole-3-sulfonyl chloride
CID 82915350
N-(2-hydroxyethyl)-N,1-dimethylindole-3-sulfonamide
CID 82487620
1-pent-4-enylindole-3-sulfonyl chloride
CID 82914607
1-(cyclopropylmethyl)indole-3-sulfonyl chloride
CID 82696799
1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride
CID 82914753
[1-(1-methylindol-3-yl)sulfonylazetidin-3-yl]methanol
CID 171459557

Frequently Asked Questions

What is the IUPAC name of 1-methylindole-3-sulfonyl chloride?
The IUPAC name of 1-methylindole-3-sulfonyl chloride (CID 55280184) is 1-methylindole-3-sulfonyl chloride.
What is the SMILES notation for 1-methylindole-3-sulfonyl chloride?
The canonical SMILES for 1-methylindole-3-sulfonyl chloride is Cn1cc(S(=O)(=O)Cl)c2ccccc21.
What is the InChIKey of 1-methylindole-3-sulfonyl chloride?
The InChIKey is AKMBTZLSBMNKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2S/c1-11-6-9(14(10,12)13)7-4-2-3-5-8(7)11/h2-6H,1H3.
What are the key properties of 1-methylindole-3-sulfonyl chloride?
1-methylindole-3-sulfonyl chloride has a molecular weight of 229.69 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylindole-3-sulfonyl chloride is sourced from PubChem (CID 55280184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).