N-ethyl-4-fluoro-N-[4-(2-fluoro-4-methylphenyl)butan-2-yl]benzenesulfonamide

C19H23F2NO2S — CID 142470252

IUPACN-ethyl-4-fluoro-N-[4-(2-fluoro-4-methylphenyl)butan-2-yl]benzenesulfonamide
SMILESCCN(C(C)CCc1ccc(C)cc1F)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H23F2NO2S/c1-4-22(25(23,24)18-11-9-17(20)10-12-18)15(3)6-8-16-7-5-14(2)13-19(16)21/h5,7,9-13,15H,4,6,8H2,1-3H3
InChIKeyNYFISERZEKOKHX-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.31
Rot. Bonds7

About N-ethyl-4-fluoro-N-[4-(2-fluoro-4-methylphenyl)butan-2-yl]benzenesulfonamide

N-ethyl-4-fluoro-N-[4-(2-fluoro-4-methylphenyl)butan-2-yl]benzenesulfonamide (PubChem CID 142470252) has the molecular formula C19H23F2NO2S and a molecular weight of 367.46 g/mol. Its IUPAC name is N-ethyl-4-fluoro-N-[4-(2-fluoro-4-methylphenyl)butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-N-[4-(2-fluoro-4-methylphenyl)butan-2-yl]benzenesulfonamide
PubChem CID142470252
Molecular FormulaC19H23F2NO2S
Molecular Weight367.46 g/mol
Exact Mass367.14
IUPAC NameN-ethyl-4-fluoro-N-[4-(2-fluoro-4-methylphenyl)butan-2-yl]benzenesulfonamide
SMILESCCN(C(C)CCc1ccc(C)cc1F)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H23F2NO2S/c1-4-22(25(23,24)18-11-9-17(20)10-12-18)15(3)6-8-16-7-5-14(2)13-19(16)21/h5,7,9-13,15H,4,6,8H2,1-3H3
InChIKeyNYFISERZEKOKHX-UHFFFAOYSA-N
XLogP4.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide
CID 43453699
N-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 46152473
4-[butan-2-yl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791315
(2S)-2-[ethyl-(4-methylphenyl)sulfonylamino]propanoic acid
CID 67639025
N-(1-cyanoethyl)-N-ethyl-2-fluoro-4-methylbenzenesulfonamide
CID 167780707
3-[ethyl-(2-fluoro-5-methylphenyl)sulfonylamino]butanoic acid
CID 62826714
N-[(2,4-difluorophenyl)methyl]-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 46022342
N-ethyl-N-[1-(4-fluorophenyl)ethyl]ethanesulfonamide
CID 61357200
2-fluoro-4-methyl-1-(3-methylpentyl)benzene;(E)-3-methylpent-2-ene
CID 142979204
4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-fluorobenzenesulfonamide
CID 103270437
2-fluoro-4-methyl-1-(2-methylpropyl)benzene
CID 59283432
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-pentan-2-ylacetamide
CID 21372246

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-N-[4-(2-fluoro-4-methylphenyl)butan-2-yl]benzenesulfonamide?
The IUPAC name of N-ethyl-4-fluoro-N-[4-(2-fluoro-4-methylphenyl)butan-2-yl]benzenesulfonamide (CID 142470252) is N-ethyl-4-fluoro-N-[4-(2-fluoro-4-methylphenyl)butan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-fluoro-N-[4-(2-fluoro-4-methylphenyl)butan-2-yl]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-fluoro-N-[4-(2-fluoro-4-methylphenyl)butan-2-yl]benzenesulfonamide is CCN(C(C)CCc1ccc(C)cc1F)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-4-fluoro-N-[4-(2-fluoro-4-methylphenyl)butan-2-yl]benzenesulfonamide?
The InChIKey is NYFISERZEKOKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO2S/c1-4-22(25(23,24)18-11-9-17(20)10-12-18)15(3)6-8-16-7-5-14(2)13-19(16)21/h5,7,9-13,15H,4,6,8H2,1-3H3.
What are the key properties of N-ethyl-4-fluoro-N-[4-(2-fluoro-4-methylphenyl)butan-2-yl]benzenesulfonamide?
N-ethyl-4-fluoro-N-[4-(2-fluoro-4-methylphenyl)butan-2-yl]benzenesulfonamide has a molecular weight of 367.46 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-N-[4-(2-fluoro-4-methylphenyl)butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 142470252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).