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

C18H13ClF2N2O3S2 — CID 11532326

IUPAC4-chloro-N-(2,5-difluorophenyl)-N-[1-(2-formyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCC(c1cnc(C=O)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClF2N2O3S2/c1-11(17-9-22-18(10-24)27-17)23(16-8-13(20)4-7-15(16)21)28(25,26)14-5-2-12(19)3-6-14/h2-11H,1H3
InChIKeyMAPSXIKVEBGKPA-UHFFFAOYSA-N
MW442.90 g/mol
LogP4.84
Rot. Bonds6

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

4-chloro-N-(2,5-difluorophenyl)-N-[1-(2-formyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 11532326) has the molecular formula C18H13ClF2N2O3S2 and a molecular weight of 442.90 g/mol. Its IUPAC name is 4-chloro-N-(2,5-difluorophenyl)-N-[1-(2-formyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-difluorophenyl)-N-[1-(2-formyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID11532326
Molecular FormulaC18H13ClF2N2O3S2
Molecular Weight442.90 g/mol
Exact Mass442.00
IUPAC Name4-chloro-N-(2,5-difluorophenyl)-N-[1-(2-formyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCC(c1cnc(C=O)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H13ClF2N2O3S2/c1-11(17-9-22-18(10-24)27-17)23(16-8-13(20)4-7-15(16)21)28(25,26)14-5-2-12(19)3-6-14/h2-11H,1H3
InChIKeyMAPSXIKVEBGKPA-UHFFFAOYSA-N
XLogP4.84
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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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-[5-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]ethyl]benzenesulfonamide
CID 11497540
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
2-[[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl-methylamino]acetamide
CID 11519358
N-tert-butyl-3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazol-5-yl]propanamide
CID 11519537
5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxylic acid
CID 11532675
4-chloro-N-(2,5-difluorophenyl)-N-[1-(5-ethenyl-4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 11576107
2-[[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-4-methyl-1,3-thiazol-5-yl]methylamino]acetamide
CID 11577163
5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxamide
CID 11583391

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-[1-(2-formyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-[1-(2-formyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide (CID 11532326) is 4-chloro-N-(2,5-difluorophenyl)-N-[1-(2-formyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,5-difluorophenyl)-N-[1-(2-formyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,5-difluorophenyl)-N-[1-(2-formyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide is CC(c1cnc(C=O)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-formyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is MAPSXIKVEBGKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O3S2/c1-11(17-9-22-18(10-24)27-17)23(16-8-13(20)4-7-15(16)21)28(25,26)14-5-2-12(19)3-6-14/h2-11H,1H3.
What are the key properties of 4-chloro-N-(2,5-difluorophenyl)-N-[1-(2-formyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
4-chloro-N-(2,5-difluorophenyl)-N-[1-(2-formyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 442.90 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 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-(2-formyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 11532326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).