2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide

C12H17FN2O2S — CID 63955321

IUPAC2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCN(CC1CC1)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H17FN2O2S/c1-2-15(8-9-3-4-9)18(16,17)12-6-5-10(13)7-11(12)14/h5-7,9H,2-4,8,14H2,1H3
InChIKeyCNCWABOUPHMCSE-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.83
Rot. Bonds5

About 2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide

2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide (PubChem CID 63955321) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide
PubChem CID63955321
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCN(CC1CC1)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H17FN2O2S/c1-2-15(8-9-3-4-9)18(16,17)12-6-5-10(13)7-11(12)14/h5-7,9H,2-4,8,14H2,1H3
InChIKeyCNCWABOUPHMCSE-UHFFFAOYSA-N
XLogP1.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide
CID 107397005
2-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 55006792
N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920810
2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79701650
methyl 2-[cyclopropylmethyl(ethyl)sulfamoyl]-4-fluorobenzoate
CID 102919539
5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide
CID 107397041
2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63698233
4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide
CID 63956337
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107402875
N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107398325
2-amino-4-fluoro-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 43570752
3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
CID 63954082

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide (CID 63955321) is 2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide is CCN(CC1CC1)S(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide?
The InChIKey is CNCWABOUPHMCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-2-15(8-9-3-4-9)18(16,17)12-6-5-10(13)7-11(12)14/h5-7,9H,2-4,8,14H2,1H3.
What are the key properties of 2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide?
2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide has a molecular weight of 272.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63955321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).