N-tert-butyl-5-ethoxy-2-fluorobenzenesulfonamide

C12H18FNO3S — CID 164769264

IUPACN-tert-butyl-5-ethoxy-2-fluorobenzenesulfonamide
SMILESCCOc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C12H18FNO3S/c1-5-17-9-6-7-10(13)11(8-9)18(15,16)14-12(2,3)4/h6-8,14H,5H2,1-4H3
InChIKeyUJJVXTJTXJIZGR-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.30
Rot. Bonds4

About N-tert-butyl-5-ethoxy-2-fluorobenzenesulfonamide

N-tert-butyl-5-ethoxy-2-fluorobenzenesulfonamide (PubChem CID 164769264) has the molecular formula C12H18FNO3S and a molecular weight of 275.35 g/mol. Its IUPAC name is N-tert-butyl-5-ethoxy-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-ethoxy-2-fluorobenzenesulfonamide
PubChem CID164769264
Molecular FormulaC12H18FNO3S
Molecular Weight275.35 g/mol
Exact Mass275.10
IUPAC NameN-tert-butyl-5-ethoxy-2-fluorobenzenesulfonamide
SMILESCCOc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C12H18FNO3S/c1-5-17-9-6-7-10(13)11(8-9)18(15,16)14-12(2,3)4/h6-8,14H,5H2,1-4H3
InChIKeyUJJVXTJTXJIZGR-UHFFFAOYSA-N
XLogP2.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2,5-difluorobenzenesulfonamide
CID 17375863
5-(2-aminoethyl)-N-tert-butyl-2-fluorobenzenesulfonamide
CID 28718664
3-[(4-ethoxyphenyl)methylsulfamoyl]-4-fluorobenzoate
CID 9160178
3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide
CID 47165468
2,5-diethoxy-N-(2-fluorophenyl)benzenesulfonamide
CID 7574411
3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide
CID 25035469
4-ethoxy-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 39372744
4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 33040103
N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 95970982
N'-(5-bromo-2-fluorophenyl)sulfonyl-3-ethoxybenzohydrazide
CID 155558104
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(tert-butylsulfamoyl)-4-chlorobenzoate
CID 42979612
N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
CID 66485755

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-ethoxy-2-fluorobenzenesulfonamide?
The IUPAC name of N-tert-butyl-5-ethoxy-2-fluorobenzenesulfonamide (CID 164769264) is N-tert-butyl-5-ethoxy-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-5-ethoxy-2-fluorobenzenesulfonamide?
The canonical SMILES for N-tert-butyl-5-ethoxy-2-fluorobenzenesulfonamide is CCOc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-5-ethoxy-2-fluorobenzenesulfonamide?
The InChIKey is UJJVXTJTXJIZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3S/c1-5-17-9-6-7-10(13)11(8-9)18(15,16)14-12(2,3)4/h6-8,14H,5H2,1-4H3.
What are the key properties of N-tert-butyl-5-ethoxy-2-fluorobenzenesulfonamide?
N-tert-butyl-5-ethoxy-2-fluorobenzenesulfonamide has a molecular weight of 275.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-ethoxy-2-fluorobenzenesulfonamide is sourced from PubChem (CID 164769264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).