N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-ethoxybenzenesulfonamide

C13H18N2O3S — CID 43597428

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2C3CNCC32)cc1
InChIInChI=1S/C13H18N2O3S/c1-2-18-9-3-5-10(6-4-9)19(16,17)15-13-11-7-14-8-12(11)13/h3-6,11-15H,2,7-8H2,1H3
InChIKeySNCREVHHICKXLL-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.58
Rot. Bonds5

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-ethoxybenzenesulfonamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-ethoxybenzenesulfonamide (PubChem CID 43597428) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-4-ethoxybenzenesulfonamide
PubChem CID43597428
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2C3CNCC32)cc1
InChIInChI=1S/C13H18N2O3S/c1-2-18-9-3-5-10(6-4-9)19(16,17)15-13-11-7-14-8-12(11)13/h3-6,11-15H,2,7-8H2,1H3
InChIKeySNCREVHHICKXLL-UHFFFAOYSA-N
XLogP0.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564
1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperazine
CID 63909437
N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxybenzenesulfonamide
CID 4297774
4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 35402103
4-ethoxy-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62045038
2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 4244055
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-ethoxybenzenesulfonamide
CID 120724398
N-[2-(aminomethyl)cyclopentyl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119985851
3-(4-ethoxyphenyl)sulfonylpyrrolidine
CID 82299275
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
4-(4-ethoxyphenyl)sulfonylpiperidine
CID 18538560
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-ethoxybenzenesulfonamide (CID 43597428) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NC2C3CNCC32)cc1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-ethoxybenzenesulfonamide?
The InChIKey is SNCREVHHICKXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-18-9-3-5-10(6-4-9)19(16,17)15-13-11-7-14-8-12(11)13/h3-6,11-15H,2,7-8H2,1H3.
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-ethoxybenzenesulfonamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-ethoxybenzenesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 43597428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).