5-ethyl-N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide

C18H17FN2O2S2 — CID 110360863

IUPAC5-ethyl-N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(F)cc2)s1
InChIInChI=1S/C18H17FN2O2S2/c1-2-17-9-10-18(24-17)25(22,23)21(13-14-4-3-11-20-12-14)16-7-5-15(19)6-8-16/h3-12H,2,13H2,1H3
InChIKeyYCDIMWXBJMDEEJ-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.24
Rot. Bonds6

About 5-ethyl-N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide

5-ethyl-N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 110360863) has the molecular formula C18H17FN2O2S2 and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-ethyl-N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID110360863
Molecular FormulaC18H17FN2O2S2
Molecular Weight376.48 g/mol
Exact Mass376.07
IUPAC Name5-ethyl-N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(F)cc2)s1
InChIInChI=1S/C18H17FN2O2S2/c1-2-17-9-10-18(24-17)25(22,23)21(13-14-4-3-11-20-12-14)16-7-5-15(19)6-8-16/h3-12H,2,13H2,1H3
InChIKeyYCDIMWXBJMDEEJ-UHFFFAOYSA-N
XLogP4.24
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 47304245
5-chloro-N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 110360283
N-(4-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 110360875
N-(4-fluorophenyl)-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360866
N-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360869
N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 110360280
4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360449
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 10157712
4-methoxy-2-methyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360451
2,5-dichloro-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)thiophene-3-sulfonamide
CID 52708261
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 30265535

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide (CID 110360863) is 5-ethyl-N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc(F)cc2)s1.
What is the InChIKey of 5-ethyl-N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is YCDIMWXBJMDEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S2/c1-2-17-9-10-18(24-17)25(22,23)21(13-14-4-3-11-20-12-14)16-7-5-15(19)6-8-16/h3-12H,2,13H2,1H3.
What are the key properties of 5-ethyl-N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
5-ethyl-N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 376.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 110360863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).