8-(3-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol

C13H16ClNO3S — CID 63764575

IUPAC8-(3-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(c1cccc(Cl)c1)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H16ClNO3S/c14-9-2-1-3-13(6-9)19(17,18)15-10-4-5-11(15)8-12(16)7-10/h1-3,6,10-12,16H,4-5,7-8H2
InChIKeyCVIZZBBGGOOREW-UHFFFAOYSA-N
MW301.79 g/mol
LogP2.02
Rot. Bonds2

About 8-(3-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol

8-(3-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63764575) has the molecular formula C13H16ClNO3S and a molecular weight of 301.79 g/mol. Its IUPAC name is 8-(3-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(3-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63764575
Molecular FormulaC13H16ClNO3S
Molecular Weight301.79 g/mol
Exact Mass301.05
IUPAC Name8-(3-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(c1cccc(Cl)c1)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H16ClNO3S/c14-9-2-1-3-13(6-9)19(17,18)15-10-4-5-11(15)8-12(16)7-10/h1-3,6,10-12,16H,4-5,7-8H2
InChIKeyCVIZZBBGGOOREW-UHFFFAOYSA-N
XLogP2.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(3-chlorophenyl)sulfonyl-3-methoxy-8-azabicyclo[3.2.1]octane
CID 122255566
1-(3-chlorophenyl)sulfonyl-4-cyclopentylpiperazine;hydrochloride
CID 163331803
8-(3-amino-4-ethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63763074
1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 18074509
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 23607548
1-(3-chlorophenyl)sulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43598001
(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 45290955
(3S,4S)-1-(3-chlorophenyl)sulfonyl-4-(dimethylamino)pyrrolidin-3-ol
CID 131891133
1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959058
1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030624
4-(3-chlorophenyl)sulfonyl-N-cyclopropylpiperazine-1-carbothioamide
CID 8745836
3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270183

Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(3-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol (CID 63764575) is 8-(3-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(3-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(3-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol is O=S(=O)(c1cccc(Cl)c1)N1C2CCC1CC(O)C2.
What is the InChIKey of 8-(3-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is CVIZZBBGGOOREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3S/c14-9-2-1-3-13(6-9)19(17,18)15-10-4-5-11(15)8-12(16)7-10/h1-3,6,10-12,16H,4-5,7-8H2.
What are the key properties of 8-(3-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
8-(3-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 301.79 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63764575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).