N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylbenzenesulfonamide

C19H22N2O2S — CID 119967726

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylbenzenesulfonamide
SMILESO=S(=O)(NC1CC2CCC(C1)N2)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H22N2O2S/c22-24(23,21-17-12-15-10-11-16(13-17)20-15)19-9-5-4-8-18(19)14-6-2-1-3-7-14/h1-9,15-17,20-21H,10-13H2
InChIKeyFDRCTGHVYHCQFK-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.91
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylbenzenesulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylbenzenesulfonamide (PubChem CID 119967726) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylbenzenesulfonamide
PubChem CID119967726
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylbenzenesulfonamide
SMILESO=S(=O)(NC1CC2CCC(C1)N2)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H22N2O2S/c22-24(23,21-17-12-15-10-11-16(13-17)20-15)19-9-5-4-8-18(19)14-6-2-1-3-7-14/h1-9,15-17,20-21H,10-13H2
InChIKeyFDRCTGHVYHCQFK-UHFFFAOYSA-N
XLogP2.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide
CID 61231401
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-3-chlorobenzenesulfonamide
CID 120707749
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-2-cyanobenzenesulfonamide
CID 119967663
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-phenylmethanesulfonamide
CID 61231975
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dibromobenzenesulfonamide
CID 61233306
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide
CID 61232934
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-methylbenzenesulfonamide
CID 120707691
2-(8-azabicyclo[3.2.1]octan-3-ylamino)benzenesulfonamide
CID 61230839
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119968134
N-(2-hydroxyethyl)-2-phenylbenzenesulfonamide
CID 154485495
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride
CID 119967769
(2-phenylphenyl)sulfonylcarbamic acid
CID 23312596

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylbenzenesulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylbenzenesulfonamide (CID 119967726) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylbenzenesulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylbenzenesulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylbenzenesulfonamide is O=S(=O)(NC1CC2CCC(C1)N2)c1ccccc1-c1ccccc1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylbenzenesulfonamide?
The InChIKey is FDRCTGHVYHCQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c22-24(23,21-17-12-15-10-11-16(13-17)20-15)19-9-5-4-8-18(19)14-6-2-1-3-7-14/h1-9,15-17,20-21H,10-13H2.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylbenzenesulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylbenzenesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylbenzenesulfonamide is sourced from PubChem (CID 119967726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).