2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanol

C17H17NO4S — CID 21258558

IUPAC2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanol
SMILESCOc1ccc2c(c1)c(CCO)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17NO4S/c1-22-14-7-8-17-16(11-14)13(9-10-19)12-18(17)23(20,21)15-5-3-2-4-6-15/h2-8,11-12,19H,9-10H2,1H3
InChIKeyHJUXHGSNRBKTHR-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.42
Rot. Bonds5

About 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanol

2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanol (PubChem CID 21258558) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanol
PubChem CID21258558
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanol
SMILESCOc1ccc2c(c1)c(CCO)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17NO4S/c1-22-14-7-8-17-16(11-14)13(9-10-19)12-18(17)23(20,21)15-5-3-2-4-6-15/h2-8,11-12,19H,9-10H2,1H3
InChIKeyHJUXHGSNRBKTHR-UHFFFAOYSA-N
XLogP2.42
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258551
1-(benzenesulfonyl)-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10023874
3-[5-methoxy-1-(3-phenoxyphenyl)sulfonylindol-3-yl]propanal
CID 89073080
3-[1-(4-ethoxyphenyl)sulfonyl-5-methoxyindol-3-yl]propanoic acid
CID 71213005
bis[2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-1-(dimethylamino)ethyl] oxalate
CID 118703867
3-[1-(benzenesulfonyl)-5-ethoxyindol-3-yl]propanoic acid
CID 18449977
3-[5-methoxy-1-[4-(trifluoromethylsulfonyloxy)phenyl]sulfonylindol-3-yl]propanoic acid
CID 89376158
methyl 3-[1-(4-chlorophenyl)sulfonyl-5-methoxyindol-3-yl]propanoate
CID 18450017
3-[1-(3,4-dimethylphenyl)sulfonyl-5-methoxyindol-3-yl]propanoic acid
CID 142993192
2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258548
methyl 3-[1-[4-(iodomethyl)phenyl]sulfonyl-5-methoxyindol-3-yl]propanoate
CID 89345094
3-[1-[4-(4-methoxyphenyl)phenyl]sulfonyl-5-propan-2-yloxyindol-3-yl]propanoic acid
CID 58837970

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanol?
The IUPAC name of 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanol (CID 21258558) is 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanol.
What is the SMILES notation for 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanol?
The canonical SMILES for 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanol is COc1ccc2c(c1)c(CCO)cn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanol?
The InChIKey is HJUXHGSNRBKTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-22-14-7-8-17-16(11-14)13(9-10-19)12-18(17)23(20,21)15-5-3-2-4-6-15/h2-8,11-12,19H,9-10H2,1H3.
What are the key properties of 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanol?
2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanol has a molecular weight of 331.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanol is sourced from PubChem (CID 21258558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).