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

C23H17ClF2N2O2S2 — CID 11641688

IUPAC4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCC(c1ncc(-c2ccccc2)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClF2N2O2S2/c1-15(23-27-14-22(31-23)16-5-3-2-4-6-16)28(21-13-18(25)9-12-20(21)26)32(29,30)19-10-7-17(24)8-11-19/h2-15H,1H3
InChIKeyKZRUJKQKOYQKSO-UHFFFAOYSA-N
MW490.98 g/mol
LogP6.70
Rot. Bonds6

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

4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 11641688) has the molecular formula C23H17ClF2N2O2S2 and a molecular weight of 490.98 g/mol. Its IUPAC name is 4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID11641688
Molecular FormulaC23H17ClF2N2O2S2
Molecular Weight490.98 g/mol
Exact Mass490.04
IUPAC Name4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCC(c1ncc(-c2ccccc2)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClF2N2O2S2/c1-15(23-27-14-22(31-23)16-5-3-2-4-6-16)28(21-13-18(25)9-12-20(21)26)32(29,30)19-10-7-17(24)8-11-19/h2-15H,1H3
InChIKeyKZRUJKQKOYQKSO-UHFFFAOYSA-N
XLogP6.70
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.98
LogP ≤ 56.70
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-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 11641688) is 4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is CC(c1ncc(-c2ccccc2)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is KZRUJKQKOYQKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF2N2O2S2/c1-15(23-27-14-22(31-23)16-5-3-2-4-6-16)28(21-13-18(25)9-12-20(21)26)32(29,30)19-10-7-17(24)8-11-19/h2-15H,1H3.
What are the key properties of 4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 490.98 g/mol, XLogP of 6.70, 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-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 11641688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).