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

C14H18N2O2S — CID 104600135

IUPAC4-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2C3C4CCC(C4)C23)cc1
InChIInChI=1S/C14H18N2O2S/c15-10-3-5-11(6-4-10)19(17,18)16-14-12-8-1-2-9(7-8)13(12)14/h3-6,8-9,12-14,16H,1-2,7,15H2
InChIKeyRRTWVUXLUHYUTD-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.59
Rot. Bonds3

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

4-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide (PubChem CID 104600135) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide
PubChem CID104600135
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name4-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2C3C4CCC(C4)C23)cc1
InChIInChI=1S/C14H18N2O2S/c15-10-3-5-11(6-4-10)19(17,18)16-14-12-8-1-2-9(7-8)13(12)14/h3-6,8-9,12-14,16H,1-2,7,15H2
InChIKeyRRTWVUXLUHYUTD-UHFFFAOYSA-N
XLogP1.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide
CID 103765723
N-(2-adamantyl)-4-aminobenzenesulfonamide
CID 11771200
6-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-3-sulfonamide
CID 103765722
4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide
CID 104600155
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
4-amino-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98148800
4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98055018
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
CID 14391833
4-amino-N-(1-tert-butylpiperidin-4-yl)benzenesulfonamide
CID 61125705
N-[2-(4-aminophenyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine
CID 114096308
4-amino-N-(1-methylpiperidin-2-yl)benzenesulfonamide
CID 57288290
4-amino-N-(2-cyclopentyloxycyclohexyl)benzenesulfonamide
CID 86790763

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide (CID 104600135) is 4-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NC2C3C4CCC(C4)C23)cc1.
What is the InChIKey of 4-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide?
The InChIKey is RRTWVUXLUHYUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c15-10-3-5-11(6-4-10)19(17,18)16-14-12-8-1-2-9(7-8)13(12)14/h3-6,8-9,12-14,16H,1-2,7,15H2.
What are the key properties of 4-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide?
4-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide is sourced from PubChem (CID 104600135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).