4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide

C20H17ClF2N2O2S2 — CID 11576107

IUPAC4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESC=Cc1sc(C(C)N(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C20H17ClF2N2O2S2/c1-4-19-12(2)24-20(28-19)13(3)25(18-11-15(22)7-10-17(18)23)29(26,27)16-8-5-14(21)6-9-16/h4-11,13H,1H2,2-3H3
InChIKeyNZEUXZZRLMMIDY-UHFFFAOYSA-N
MW454.95 g/mol
LogP5.98
Rot. Bonds6

About 4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide

4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 11576107) has the molecular formula C20H17ClF2N2O2S2 and a molecular weight of 454.95 g/mol. Its IUPAC name is 4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID11576107
Molecular FormulaC20H17ClF2N2O2S2
Molecular Weight454.95 g/mol
Exact Mass454.04
IUPAC Name4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESC=Cc1sc(C(C)N(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C20H17ClF2N2O2S2/c1-4-19-12(2)24-20(28-19)13(3)25(18-11-15(22)7-10-17(18)23)29(26,27)16-8-5-14(21)6-9-16/h4-11,13H,1H2,2-3H3
InChIKeyNZEUXZZRLMMIDY-UHFFFAOYSA-N
XLogP5.98
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.95
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 11576107) is 4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is C=Cc1sc(C(C)N(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)nc1C.
What is the InChIKey of 4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is NZEUXZZRLMMIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N2O2S2/c1-4-19-12(2)24-20(28-19)13(3)25(18-11-15(22)7-10-17(18)23)29(26,27)16-8-5-14(21)6-9-16/h4-11,13H,1H2,2-3H3.
What are the key properties of 4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 454.95 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 11576107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).