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

C23H24ClF2N3O3S2 — CID 11642229

IUPAC4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
SMILESCC(c1cnc(CN2CCC(O)CC2)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClF2N3O3S2/c1-15(22-13-27-23(33-22)14-28-10-8-18(30)9-11-28)29(21-12-17(25)4-7-20(21)26)34(31,32)19-5-2-16(24)3-6-19/h2-7,12-13,15,18,30H,8-11,14H2,1H3
InChIKeyOIHVIRKZWWKGLN-UHFFFAOYSA-N
MW528.05 g/mol
LogP4.99
Rot. Bonds7

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

4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethyl]benzenesulfonamide (PubChem CID 11642229) has the molecular formula C23H24ClF2N3O3S2 and a molecular weight of 528.05 g/mol. Its IUPAC name is 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
PubChem CID11642229
Molecular FormulaC23H24ClF2N3O3S2
Molecular Weight528.05 g/mol
Exact Mass527.09
IUPAC Name4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
SMILESCC(c1cnc(CN2CCC(O)CC2)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClF2N3O3S2/c1-15(22-13-27-23(33-22)14-28-10-8-18(30)9-11-28)29(21-12-17(25)4-7-20(21)26)34(31,32)19-5-2-16(24)3-6-19/h2-7,12-13,15,18,30H,8-11,14H2,1H3
InChIKeyOIHVIRKZWWKGLN-UHFFFAOYSA-N
XLogP4.99
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.05
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethyl]benzenesulfonamide (CID 11642229) is 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethyl]benzenesulfonamide is CC(c1cnc(CN2CCC(O)CC2)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethyl]benzenesulfonamide?
The InChIKey is OIHVIRKZWWKGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF2N3O3S2/c1-15(22-13-27-23(33-22)14-28-10-8-18(30)9-11-28)29(21-12-17(25)4-7-20(21)26)34(31,32)19-5-2-16(24)3-6-19/h2-7,12-13,15,18,30H,8-11,14H2,1H3.
What are the key properties of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethyl]benzenesulfonamide?
4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethyl]benzenesulfonamide has a molecular weight of 528.05 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 11642229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).