4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide

C15H16N2O2S — CID 103765723

IUPAC4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2C3C4CCC(C4)C23)cc1
InChIInChI=1S/C15H16N2O2S/c16-8-9-1-5-12(6-2-9)20(18,19)17-15-13-10-3-4-11(7-10)14(13)15/h1-2,5-6,10-11,13-15,17H,3-4,7H2
InChIKeyQBVMSBKIPTYWDT-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.88
Rot. Bonds3

About 4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide

4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide (PubChem CID 103765723) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide
PubChem CID103765723
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2C3C4CCC(C4)C23)cc1
InChIInChI=1S/C15H16N2O2S/c16-8-9-1-5-12(6-2-9)20(18,19)17-15-13-10-3-4-11(7-10)14(13)15/h1-2,5-6,10-11,13-15,17H,3-4,7H2
InChIKeyQBVMSBKIPTYWDT-UHFFFAOYSA-N
XLogP1.88
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide
CID 104600135
4-cyano-N-cyclobutylbenzenesulfonamide
CID 25047960
4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide
CID 115672192
6-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-3-sulfonamide
CID 103765722
4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 113256895
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-cyanobenzenesulfonamide
CID 66210964
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide
CID 24602920
N-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide
CID 80662442
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-cyanobenzenesulfonamide
CID 43080895
4-cyano-N-(2-oxooxolan-3-yl)benzenesulfonamide
CID 43822806
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide (CID 103765723) is 4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NC2C3C4CCC(C4)C23)cc1.
What is the InChIKey of 4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide?
The InChIKey is QBVMSBKIPTYWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c16-8-9-1-5-12(6-2-9)20(18,19)17-15-13-10-3-4-11(7-10)14(13)15/h1-2,5-6,10-11,13-15,17H,3-4,7H2.
What are the key properties of 4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide?
4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide is sourced from PubChem (CID 103765723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).