5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxylic acid

C18H13ClF2N2O4S2 — CID 11532675

IUPAC5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxylic acid
SMILESCC(c1cnc(C(=O)O)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClF2N2O4S2/c1-10(16-9-22-17(28-16)18(24)25)23(15-8-12(20)4-7-14(15)21)29(26,27)13-5-2-11(19)3-6-13/h2-10H,1H3,(H,24,25)
InChIKeyVXIUNGSEWFJHNO-UHFFFAOYSA-N
MW458.90 g/mol
LogP4.73
Rot. Bonds6

About 5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxylic acid

5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 11532675) has the molecular formula C18H13ClF2N2O4S2 and a molecular weight of 458.90 g/mol. Its IUPAC name is 5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxylic acid
PubChem CID11532675
Molecular FormulaC18H13ClF2N2O4S2
Molecular Weight458.90 g/mol
Exact Mass458.00
IUPAC Name5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxylic acid
SMILESCC(c1cnc(C(=O)O)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClF2N2O4S2/c1-10(16-9-22-17(28-16)18(24)25)23(15-8-12(20)4-7-14(15)21)29(26,27)13-5-2-11(19)3-6-13/h2-10H,1H3,(H,24,25)
InChIKeyVXIUNGSEWFJHNO-UHFFFAOYSA-N
XLogP4.73
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.90
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanoate
CID 11409449
4-chloro-N-(2,5-difluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 11502530
3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanoic acid
CID 11511451
4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-oxopropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
CID 11518448
3-[5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-2-yl]propanoic acid
CID 11518744
4-chloro-N-(2,5-difluorophenyl)-N-[1-(2-formyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 11532326
5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxamide
CID 11583391
4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-hydroxypropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
CID 11590969
methyl 3-[5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-2-yl]propanoate
CID 11591438
4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-(hydroxymethyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 11633676
4-chloro-N-(2,5-difluorophenyl)-N-[1-[5-(3-hydroxy-3-methylbutyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
CID 11641855
4-chloro-N-(2,5-difluorophenyl)-N-[1-[2-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 11642229

Frequently Asked Questions

What is the IUPAC name of 5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxylic acid (CID 11532675) is 5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxylic acid is CC(c1cnc(C(=O)O)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is VXIUNGSEWFJHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O4S2/c1-10(16-9-22-17(28-16)18(24)25)23(15-8-12(20)4-7-14(15)21)29(26,27)13-5-2-11(19)3-6-13/h2-10H,1H3,(H,24,25).
What are the key properties of 5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxylic acid?
5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 458.90 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 11532675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).