4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide

C12H18FN3O2S — CID 62976254

IUPAC4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide
SMILESCN(CCNS(=O)(=O)c1ccc(N)cc1F)C1CC1
InChIInChI=1S/C12H18FN3O2S/c1-16(10-3-4-10)7-6-15-19(17,18)12-5-2-9(14)8-11(12)13/h2,5,8,10,15H,3-4,6-7,14H2,1H3
InChIKeyUTUKFKOLERKJFA-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.78
Rot. Bonds6

About 4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide

4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide (PubChem CID 62976254) has the molecular formula C12H18FN3O2S and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide
PubChem CID62976254
Molecular FormulaC12H18FN3O2S
Molecular Weight287.36 g/mol
Exact Mass287.11
IUPAC Name4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide
SMILESCN(CCNS(=O)(=O)c1ccc(N)cc1F)C1CC1
InChIInChI=1S/C12H18FN3O2S/c1-16(10-3-4-10)7-6-15-19(17,18)12-5-2-9(14)8-11(12)13/h2,5,8,10,15H,3-4,6-7,14H2,1H3
InChIKeyUTUKFKOLERKJFA-UHFFFAOYSA-N
XLogP0.78
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-nitrobenzenesulfonamide
CID 62978388
4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
CID 63314929
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62975510
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 62975887
4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929989
4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide
CID 113474881
2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 63317024
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79962260
4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012823
2-bromo-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,4-diamine
CID 62976081
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-sulfonamide
CID 62976625
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide (CID 62976254) is 4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide is CN(CCNS(=O)(=O)c1ccc(N)cc1F)C1CC1.
What is the InChIKey of 4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide?
The InChIKey is UTUKFKOLERKJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2S/c1-16(10-3-4-10)7-6-15-19(17,18)12-5-2-9(14)8-11(12)13/h2,5,8,10,15H,3-4,6-7,14H2,1H3.
What are the key properties of 4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide?
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 62976254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).