4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide

C15H22N2O2S — CID 98055018

IUPAC4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(N)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C15H22N2O2S/c1-10(15-9-11-2-3-12(15)8-11)17-20(18,19)14-6-4-13(16)5-7-14/h4-7,10-12,15,17H,2-3,8-9,16H2,1H3/t10-,11-,12-,15-/m1/s1
InChIKeyZGICLUUQRQJGQH-RTWAVKEYSA-N
MW294.42 g/mol
LogP2.37
Rot. Bonds4

About 4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide

4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide (PubChem CID 98055018) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
PubChem CID98055018
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(N)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C15H22N2O2S/c1-10(15-9-11-2-3-12(15)8-11)17-20(18,19)14-6-4-13(16)5-7-14/h4-7,10-12,15,17H,2-3,8-9,16H2,1H3/t10-,11-,12-,15-/m1/s1
InChIKeyZGICLUUQRQJGQH-RTWAVKEYSA-N
XLogP2.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.37
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-amino-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98148800
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 19681517
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methylbenzenesulfonamide
CID 98371302
1-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 22108863
6-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pyridine-3-sulfonamide
CID 62148889
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-cyanobenzenesulfonamide
CID 43080895
3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxybenzenesulfonamide
CID 43100175
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-methylpropanamide
CID 42999766
5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluorobenzenesulfonamide
CID 43255512
N-[4-[[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]-3,5-dimethylbenzamide
CID 98402946
N-[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]benzamide
CID 98606587
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-methylsulfanylpropanamide
CID 43077721

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide (CID 98055018) is 4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccc(N)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of 4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide?
The InChIKey is ZGICLUUQRQJGQH-RTWAVKEYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10(15-9-11-2-3-12(15)8-11)17-20(18,19)14-6-4-13(16)5-7-14/h4-7,10-12,15,17H,2-3,8-9,16H2,1H3/t10-,11-,12-,15-/m1/s1.
What are the key properties of 4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide?
4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide has a molecular weight of 294.42 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 98055018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).