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

C14H23FN2O2S — CID 43587339

IUPAC2-amino-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzenesulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C14H23FN2O2S/c1-4-11(5-2)10-17(6-3)20(18,19)14-8-7-12(15)9-13(14)16/h7-9,11H,4-6,10,16H2,1-3H3
InChIKeyYUHDNDJPXVKHDU-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.85
Rot. Bonds7

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

2-amino-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzenesulfonamide (PubChem CID 43587339) has the molecular formula C14H23FN2O2S and a molecular weight of 302.41 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzenesulfonamide
PubChem CID43587339
Molecular FormulaC14H23FN2O2S
Molecular Weight302.41 g/mol
Exact Mass302.15
IUPAC Name2-amino-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzenesulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C14H23FN2O2S/c1-4-11(5-2)10-17(6-3)20(18,19)14-8-7-12(15)9-13(14)16/h7-9,11H,4-6,10,16H2,1-3H3
InChIKeyYUHDNDJPXVKHDU-UHFFFAOYSA-N
XLogP2.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.85
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

4-amino-N,N-diethylbenzene-1-sulfonamide
CID 95067
2-Amino-N-cyclohexyl-N-methylbenzenesulfonamide
CID 116814
4-Amino-N-(2-methylpropyl)benzenesulfonamide
CID 860617
Benzenesulfonamide, 2-amino-N-ethyl-N-phenyl-
CID 66472
2-amino-N-methylbenzene-1-sulfonamide
CID 1132840
Benzenesulfonamide, 2-amino-N-cyclohexyl-N-ethyl-
CID 86459
Benzenamine, 2-[(hexahydro-1H-azepin-1-yl)sulfonyl]-
CID 16788586
N,N-diethyl-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide
CID 2442061
4-amino-N-(2-fluoro-2-methylpropyl)benzenesulfonamide
CID 71578982
4-((3,5-Dimethylpiperidin-1-yl)sulfonyl)aniline
CID 2956918
4-[(3-Methylpiperidin-1-yl)sulfonyl]aniline
CID 3146105
Benzenamine, 2-[(hexahydro-1H-azepin-1-yl)sulfonyl]-, sulfate (1:1)
CID 134813449

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzenesulfonamide (CID 43587339) is 2-amino-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzenesulfonamide is CCC(CC)CN(CC)S(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzenesulfonamide?
The InChIKey is YUHDNDJPXVKHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2S/c1-4-11(5-2)10-17(6-3)20(18,19)14-8-7-12(15)9-13(14)16/h7-9,11H,4-6,10,16H2,1-3H3.
What are the key properties of 2-amino-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzenesulfonamide?
2-amino-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzenesulfonamide has a molecular weight of 302.41 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 43587339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).