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

C24H24ClF2N3O4S2 — CID 11692524

IUPAC4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-morpholin-4-yl-3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
SMILESCC(c1ncc(CCC(=O)N2CCOCC2)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClF2N3O4S2/c1-16(24-28-15-19(35-24)5-9-23(31)29-10-12-34-13-11-29)30(22-14-18(26)4-8-21(22)27)36(32,33)20-6-2-17(25)3-7-20/h2-4,6-8,14-16H,5,9-13H2,1H3
InChIKeyONTUCIGUDZHKSP-UHFFFAOYSA-N
MW556.06 g/mol
LogP4.82
Rot. Bonds8

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

4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-morpholin-4-yl-3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide (PubChem CID 11692524) has the molecular formula C24H24ClF2N3O4S2 and a molecular weight of 556.06 g/mol. Its IUPAC name is 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-morpholin-4-yl-3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-morpholin-4-yl-3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
PubChem CID11692524
Molecular FormulaC24H24ClF2N3O4S2
Molecular Weight556.06 g/mol
Exact Mass555.09
IUPAC Name4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-morpholin-4-yl-3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
SMILESCC(c1ncc(CCC(=O)N2CCOCC2)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClF2N3O4S2/c1-16(24-28-15-19(35-24)5-9-23(31)29-10-12-34-13-11-29)30(22-14-18(26)4-8-21(22)27)36(32,33)20-6-2-17(25)3-7-20/h2-4,6-8,14-16H,5,9-13H2,1H3
InChIKeyONTUCIGUDZHKSP-UHFFFAOYSA-N
XLogP4.82
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.06
LogP ≤ 54.82
H-Bond Donors ≤ 50
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-[5-(3-morpholin-4-yl-3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-morpholin-4-yl-3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide (CID 11692524) is 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-morpholin-4-yl-3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-morpholin-4-yl-3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-morpholin-4-yl-3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide is CC(c1ncc(CCC(=O)N2CCOCC2)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-(3-morpholin-4-yl-3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
The InChIKey is ONTUCIGUDZHKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2N3O4S2/c1-16(24-28-15-19(35-24)5-9-23(31)29-10-12-34-13-11-29)30(22-14-18(26)4-8-21(22)27)36(32,33)20-6-2-17(25)3-7-20/h2-4,6-8,14-16H,5,9-13H2,1H3.
What are the key properties of 4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-morpholin-4-yl-3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide?
4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-morpholin-4-yl-3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide has a molecular weight of 556.06 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 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-[5-(3-morpholin-4-yl-3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 11692524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).