2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)ethanesulfonyl chloride

C12H14ClNO3S — CID 84814114

IUPAC2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)ethanesulfonyl chloride
SMILESCc1[nH]c2ccc(O)c(CCS(=O)(=O)Cl)c2c1C
InChIInChI=1S/C12H14ClNO3S/c1-7-8(2)14-10-3-4-11(15)9(12(7)10)5-6-18(13,16)17/h3-4,14-15H,5-6H2,1-2H3
InChIKeyOEXNQUOUVKWZKZ-UHFFFAOYSA-N
MW287.77 g/mol
LogP2.60
Rot. Bonds3

About 2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)ethanesulfonyl chloride

2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)ethanesulfonyl chloride (PubChem CID 84814114) has the molecular formula C12H14ClNO3S and a molecular weight of 287.77 g/mol. Its IUPAC name is 2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)ethanesulfonyl chloride
PubChem CID84814114
Molecular FormulaC12H14ClNO3S
Molecular Weight287.77 g/mol
Exact Mass287.04
IUPAC Name2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)ethanesulfonyl chloride
SMILESCc1[nH]c2ccc(O)c(CCS(=O)(=O)Cl)c2c1C
InChIInChI=1S/C12H14ClNO3S/c1-7-8(2)14-10-3-4-11(15)9(12(7)10)5-6-18(13,16)17/h3-4,14-15H,5-6H2,1-2H3
InChIKeyOEXNQUOUVKWZKZ-UHFFFAOYSA-N
XLogP2.60
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-6-hydroxy-2-methylphenyl)ethanesulfonyl chloride
CID 84808556
3-(aminomethyl)-4-chloro-2-methyl-1H-indol-5-ol
CID 84678039
2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)propanoic acid
CID 84795947
4-chloro-5-ethyl-2-methyl-3-propyl-1H-indole
CID 145463036
methane;2,3,4,5-tetramethyl-1H-indole
CID 174502737
2-(2-methoxy-3,6-dimethylphenyl)ethanesulfonyl chloride
CID 84710908
benzene;2,3,4,5-tetramethyl-1H-indole
CID 174464516
3-(4-hydroxy-2,3-dimethyl-1H-indol-5-yl)-3-methylbutanoic acid
CID 117407542
2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethanamine
CID 82393219
methyl 4-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 70166553
4-bromo-2-ethyl-5-hydroxy-1H-indole-3-carbaldehyde
CID 84712000
2-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanesulfonyl chloride
CID 84808458

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)ethanesulfonyl chloride (CID 84814114) is 2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)ethanesulfonyl chloride is Cc1[nH]c2ccc(O)c(CCS(=O)(=O)Cl)c2c1C.
What is the InChIKey of 2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)ethanesulfonyl chloride?
The InChIKey is OEXNQUOUVKWZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3S/c1-7-8(2)14-10-3-4-11(15)9(12(7)10)5-6-18(13,16)17/h3-4,14-15H,5-6H2,1-2H3.
What are the key properties of 2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)ethanesulfonyl chloride?
2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)ethanesulfonyl chloride has a molecular weight of 287.77 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)ethanesulfonyl chloride is sourced from PubChem (CID 84814114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).