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

C17H13ClF2N2O2S2 — CID 11502530

IUPAC4-chloro-N-(2,5-difluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCC(c1nccs1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClF2N2O2S2/c1-11(17-21-8-9-25-17)22(16-10-13(19)4-7-15(16)20)26(23,24)14-5-2-12(18)3-6-14/h2-11H,1H3
InChIKeyOXFUXMSOXOGUIK-UHFFFAOYSA-N
MW414.89 g/mol
LogP5.03
Rot. Bonds5

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

4-chloro-N-(2,5-difluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 11502530) has the molecular formula C17H13ClF2N2O2S2 and a molecular weight of 414.89 g/mol. Its IUPAC name is 4-chloro-N-(2,5-difluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-difluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID11502530
Molecular FormulaC17H13ClF2N2O2S2
Molecular Weight414.89 g/mol
Exact Mass414.01
IUPAC Name4-chloro-N-(2,5-difluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCC(c1nccs1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClF2N2O2S2/c1-11(17-21-8-9-25-17)22(16-10-13(19)4-7-15(16)20)26(23,24)14-5-2-12(18)3-6-14/h2-11H,1H3
InChIKeyOXFUXMSOXOGUIK-UHFFFAOYSA-N
XLogP5.03
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.89
LogP ≤ 55.03
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-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 11502530) is 4-chloro-N-(2,5-difluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,5-difluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,5-difluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is CC(c1nccs1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2,5-difluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is OXFUXMSOXOGUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N2O2S2/c1-11(17-21-8-9-25-17)22(16-10-13(19)4-7-15(16)20)26(23,24)14-5-2-12(18)3-6-14/h2-11H,1H3.
What are the key properties of 4-chloro-N-(2,5-difluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
4-chloro-N-(2,5-difluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 414.89 g/mol, XLogP of 5.03, 5 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-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 11502530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).