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

C14H16ClN3O2S — CID 119967663

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-2-cyanobenzenesulfonamide
SMILESN#Cc1c(Cl)cccc1S(=O)(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C14H16ClN3O2S/c15-13-2-1-3-14(12(13)8-16)21(19,20)18-11-6-9-4-5-10(7-11)17-9/h1-3,9-11,17-18H,4-7H2
InChIKeyJIAXLWLGUODPJO-UHFFFAOYSA-N
MW325.82 g/mol
LogP1.77
Rot. Bonds3

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-2-cyanobenzenesulfonamide (PubChem CID 119967663) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-2-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-2-cyanobenzenesulfonamide
PubChem CID119967663
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-2-cyanobenzenesulfonamide
SMILESN#Cc1c(Cl)cccc1S(=O)(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C14H16ClN3O2S/c15-13-2-1-3-14(12(13)8-16)21(19,20)18-11-6-9-4-5-10(7-11)17-9/h1-3,9-11,17-18H,4-7H2
InChIKeyJIAXLWLGUODPJO-UHFFFAOYSA-N
XLogP1.77
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-3-chlorobenzenesulfonamide
CID 120707749
3-chloro-2-cyano-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725253
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylbenzenesulfonamide
CID 119967726
N-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide
CID 119983523
3-[(2-cyano-3-methylphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 138045412
3-chloro-2-cyano-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968274
3-chloro-2-cyano-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119976906
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide
CID 61232934
N-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide
CID 61231401
N-(3-aminocyclobutyl)-2,3-dichlorobenzenesulfonamide
CID 43597819
3-chloro-2-cyanobenzenesulfonyl bromide
CID 22438383
2-cyano-3-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995781

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-2-cyanobenzenesulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-2-cyanobenzenesulfonamide (CID 119967663) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-2-cyanobenzenesulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-2-cyanobenzenesulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-2-cyanobenzenesulfonamide is N#Cc1c(Cl)cccc1S(=O)(=O)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-2-cyanobenzenesulfonamide?
The InChIKey is JIAXLWLGUODPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c15-13-2-1-3-14(12(13)8-16)21(19,20)18-11-6-9-4-5-10(7-11)17-9/h1-3,9-11,17-18H,4-7H2.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-2-cyanobenzenesulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-2-cyanobenzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-2-cyanobenzenesulfonamide is sourced from PubChem (CID 119967663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).