2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide

C12H19FN2O3S — CID 61171428

IUPAC2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide
SMILESCCCCOCCNS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C12H19FN2O3S/c1-2-3-7-18-8-6-15-19(16,17)12-9-10(13)4-5-11(12)14/h4-5,9,15H,2-3,6-8,14H2,1H3
InChIKeyFTIHRRLRXBLZIZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.50
Rot. Bonds8

About 2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide

2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide (PubChem CID 61171428) has the molecular formula C12H19FN2O3S and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide
PubChem CID61171428
Molecular FormulaC12H19FN2O3S
Molecular Weight290.36 g/mol
Exact Mass290.11
IUPAC Name2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide
SMILESCCCCOCCNS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C12H19FN2O3S/c1-2-3-7-18-8-6-15-19(16,17)12-9-10(13)4-5-11(12)14/h4-5,9,15H,2-3,6-8,14H2,1H3
InChIKeyFTIHRRLRXBLZIZ-UHFFFAOYSA-N
XLogP1.50
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333204
4-bromo-N-(2-butoxyethyl)-2-fluorobenzenesulfonamide
CID 116528205
2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide
CID 82940052
2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide
CID 54888461
3-amino-N-(2-butoxyethyl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791681
3-amino-5-bromo-N-(2-butoxyethyl)-2-methylbenzenesulfonamide
CID 114379255
2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide
CID 62196910
2-amino-N-(3-hexoxypropyl)benzenesulfonamide
CID 58720589
tert-butyl N-[2-[(2-amino-5-fluorophenyl)sulfonylamino]ethyl]carbamate
CID 104932760
N-(2-ethoxyethyl)-5-fluoro-2-(propylaminomethyl)benzenesulfonamide
CID 106020014
3-(aminomethyl)-5-bromo-N-(2-butoxyethyl)-2-fluorobenzenesulfonamide
CID 106017574
2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 60985914

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide (CID 61171428) is 2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide is CCCCOCCNS(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide?
The InChIKey is FTIHRRLRXBLZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3S/c1-2-3-7-18-8-6-15-19(16,17)12-9-10(13)4-5-11(12)14/h4-5,9,15H,2-3,6-8,14H2,1H3.
What are the key properties of 2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide?
2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide has a molecular weight of 290.36 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 61171428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).