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

C20H19ClF2N2O3S2 — CID 11576463

IUPAC4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
SMILESCc1nc(C(C)N(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)sc1CCO
InChIInChI=1S/C20H19ClF2N2O3S2/c1-12-19(9-10-26)29-20(24-12)13(2)25(18-11-15(22)5-8-17(18)23)30(27,28)16-6-3-14(21)4-7-16/h3-8,11,13,26H,9-10H2,1-2H3
InChIKeyVGKTXPMCORNTHZ-UHFFFAOYSA-N
MW472.97 g/mol
LogP4.87
Rot. Bonds7

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

4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]benzenesulfonamide (PubChem CID 11576463) has the molecular formula C20H19ClF2N2O3S2 and a molecular weight of 472.97 g/mol. Its IUPAC name is 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
PubChem CID11576463
Molecular FormulaC20H19ClF2N2O3S2
Molecular Weight472.97 g/mol
Exact Mass472.05
IUPAC Name4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
SMILESCc1nc(C(C)N(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)sc1CCO
InChIInChI=1S/C20H19ClF2N2O3S2/c1-12-19(9-10-26)29-20(24-12)13(2)25(18-11-15(22)5-8-17(18)23)30(27,28)16-6-3-14(21)4-7-16/h3-8,11,13,26H,9-10H2,1-2H3
InChIKeyVGKTXPMCORNTHZ-UHFFFAOYSA-N
XLogP4.87
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]benzenesulfonamide (CID 11576463) is 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]benzenesulfonamide is Cc1nc(C(C)N(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)sc1CCO.
What is the InChIKey of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
The InChIKey is VGKTXPMCORNTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N2O3S2/c1-12-19(9-10-26)29-20(24-12)13(2)25(18-11-15(22)5-8-17(18)23)30(27,28)16-6-3-14(21)4-7-16/h3-8,11,13,26H,9-10H2,1-2H3.
What are the key properties of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]benzenesulfonamide has a molecular weight of 472.97 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 11576463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).