5-ethyl-2-fluoro-4-(2-methylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C15H19FN2O2S2 — CID 123341644

IUPAC5-ethyl-2-fluoro-4-(2-methylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCc1cc(S(=O)(=O)Nc2nccs2)c(F)cc1CC(C)C
InChIInChI=1S/C15H19FN2O2S2/c1-4-11-9-14(13(16)8-12(11)7-10(2)3)22(19,20)18-15-17-5-6-21-15/h5-6,8-10H,4,7H2,1-3H3,(H,17,18)
InChIKeyUKYHAFJXQOLVHP-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.84
Rot. Bonds6

About 5-ethyl-2-fluoro-4-(2-methylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

5-ethyl-2-fluoro-4-(2-methylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 123341644) has the molecular formula C15H19FN2O2S2 and a molecular weight of 342.46 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-4-(2-methylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-ethyl-2-fluoro-4-(2-methylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID123341644
Molecular FormulaC15H19FN2O2S2
Molecular Weight342.46 g/mol
Exact Mass342.09
IUPAC Name5-ethyl-2-fluoro-4-(2-methylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCc1cc(S(=O)(=O)Nc2nccs2)c(F)cc1CC(C)C
InChIInChI=1S/C15H19FN2O2S2/c1-4-11-9-14(13(16)8-12(11)7-10(2)3)22(19,20)18-15-17-5-6-21-15/h5-6,8-10H,4,7H2,1-3H3,(H,17,18)
InChIKeyUKYHAFJXQOLVHP-UHFFFAOYSA-N
XLogP3.84
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134586213
4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25138353
5-chloro-2-fluoro-4-[1-(2-fluorophenyl)propylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134585308
2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031681
3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256868
4-[4-[[(2S)-2-aminopropyl]amino]butylamino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 129251791
5-(ethylaminomethyl)-2-methyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106031731
4-[[(6S)-7-amino-6-methylheptyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 162073504
5-chloro-2-fluoro-4-[(2-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134586086
5-bromo-4-[[(1S,2S)-2-(ethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134438274
5-chloro-2-fluoro-4-[[(1R)-1-isoquinolin-8-ylethyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134585183
4-[[(R)-amino(phenyl)methyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134602271

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-fluoro-4-(2-methylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-ethyl-2-fluoro-4-(2-methylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 123341644) is 5-ethyl-2-fluoro-4-(2-methylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-ethyl-2-fluoro-4-(2-methylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-ethyl-2-fluoro-4-(2-methylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is CCc1cc(S(=O)(=O)Nc2nccs2)c(F)cc1CC(C)C.
What is the InChIKey of 5-ethyl-2-fluoro-4-(2-methylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is UKYHAFJXQOLVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2S2/c1-4-11-9-14(13(16)8-12(11)7-10(2)3)22(19,20)18-15-17-5-6-21-15/h5-6,8-10H,4,7H2,1-3H3,(H,17,18).
What are the key properties of 5-ethyl-2-fluoro-4-(2-methylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
5-ethyl-2-fluoro-4-(2-methylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-fluoro-4-(2-methylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 123341644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).