3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)phenol

C14H19NO3S — CID 82751077

IUPAC3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)phenol
SMILESO=S(=O)(c1cccc(O)c1)N1CCC2CCCCC21
InChIInChI=1S/C14H19NO3S/c16-12-5-3-6-13(10-12)19(17,18)15-9-8-11-4-1-2-7-14(11)15/h3,5-6,10-11,14,16H,1-2,4,7-9H2
InChIKeyWZJHDIBFZWFAFF-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.35
Rot. Bonds2

About 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)phenol

3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)phenol (PubChem CID 82751077) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)phenol.

Molecular Properties

Compound Name3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)phenol
PubChem CID82751077
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)phenol
SMILESO=S(=O)(c1cccc(O)c1)N1CCC2CCCCC21
InChIInChI=1S/C14H19NO3S/c16-12-5-3-6-13(10-12)19(17,18)15-9-8-11-4-1-2-7-14(11)15/h3,5-6,10-11,14,16H,1-2,4,7-9H2
InChIKeyWZJHDIBFZWFAFF-UHFFFAOYSA-N
XLogP2.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aS,8aS)-1-(3-bromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 11926523
1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine
CID 110871963
2-cyclopropyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110871844
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)benzenecarbothioamide
CID 65320771
1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258512
1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106670534
1-[3-chloro-4-(chloromethyl)phenyl]sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 107091103
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxylic acid
CID 82752043
(3aS,7aR)-1-[3-(methoxymethyl)phenyl]sulfonyl-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
CID 166255301
1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 78989322
2-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)phenyl]ethanamine
CID 82752347
(4aS,8aR)-1-(4-chlorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 6946060

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)phenol?
The IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)phenol (CID 82751077) is 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)phenol.
What is the SMILES notation for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)phenol?
The canonical SMILES for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)phenol is O=S(=O)(c1cccc(O)c1)N1CCC2CCCCC21.
What is the InChIKey of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)phenol?
The InChIKey is WZJHDIBFZWFAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c16-12-5-3-6-13(10-12)19(17,18)15-9-8-11-4-1-2-7-14(11)15/h3,5-6,10-11,14,16H,1-2,4,7-9H2.
What are the key properties of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)phenol?
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)phenol has a molecular weight of 281.38 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)phenol is sourced from PubChem (CID 82751077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).