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

C18H14ClF2N3O3S2 — CID 11583391

IUPAC5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxamide
SMILESCC(c1cnc(C(N)=O)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClF2N3O3S2/c1-10(16-9-23-18(28-16)17(22)25)24(15-8-12(20)4-7-14(15)21)29(26,27)13-5-2-11(19)3-6-13/h2-10H,1H3,(H2,22,25)
InChIKeyRZHSOJBXAHFELE-UHFFFAOYSA-N
MW457.91 g/mol
LogP4.13
Rot. Bonds6

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

5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxamide (PubChem CID 11583391) has the molecular formula C18H14ClF2N3O3S2 and a molecular weight of 457.91 g/mol. Its IUPAC name is 5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxamide
PubChem CID11583391
Molecular FormulaC18H14ClF2N3O3S2
Molecular Weight457.91 g/mol
Exact Mass457.01
IUPAC Name5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxamide
SMILESCC(c1cnc(C(N)=O)s1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClF2N3O3S2/c1-10(16-9-23-18(28-16)17(22)25)24(15-8-12(20)4-7-14(15)21)29(26,27)13-5-2-11(19)3-6-13/h2-10H,1H3,(H2,22,25)
InChIKeyRZHSOJBXAHFELE-UHFFFAOYSA-N
XLogP4.13
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxamide (CID 11583391) is 5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxamide is CC(c1cnc(C(N)=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-carboxamide?
The InChIKey is RZHSOJBXAHFELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O3S2/c1-10(16-9-23-18(28-16)17(22)25)24(15-8-12(20)4-7-14(15)21)29(26,27)13-5-2-11(19)3-6-13/h2-10H,1H3,(H2,22,25).
What are the key properties of 5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxamide?
5-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-1,3-thiazole-2-carboxamide has a molecular weight of 457.91 g/mol, XLogP of 4.13, 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-carboxamide is sourced from PubChem (CID 11583391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).