N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide

C18H13F3N2O3S2 — CID 16910539

IUPACN-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccc(F)cc2F)cs1
InChIInChI=1S/C18H13F3N2O3S2/c19-11-1-4-13(5-2-11)28(25,26)8-7-17(24)23-18-22-16(10-27-18)14-6-3-12(20)9-15(14)21/h1-6,9-10H,7-8H2,(H,22,23,24)
InChIKeyKUUKVCZBLFZZBT-UHFFFAOYSA-N
MW426.44 g/mol
LogP4.03
Rot. Bonds6

About N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide

N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide (PubChem CID 16910539) has the molecular formula C18H13F3N2O3S2 and a molecular weight of 426.44 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
PubChem CID16910539
Molecular FormulaC18H13F3N2O3S2
Molecular Weight426.44 g/mol
Exact Mass426.03
IUPAC NameN-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccc(F)cc2F)cs1
InChIInChI=1S/C18H13F3N2O3S2/c19-11-1-4-13(5-2-11)28(25,26)8-7-17(24)23-18-22-16(10-27-18)14-6-3-12(20)9-15(14)21/h1-6,9-10H,7-8H2,(H,22,23,24)
InChIKeyKUUKVCZBLFZZBT-UHFFFAOYSA-N
XLogP4.03
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 41151631
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4202014
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 18589698
3-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 16910434
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7254347
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905
ethyl 2-[2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-1,3-thiazol-4-yl]acetate
CID 7544319
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-propan-2-ylurea
CID 156560492
3-(4-chlorophenyl)sulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide
CID 44994731
methyl 4-[2-[4-(4-fluorophenyl)sulfonylbutanoylamino]-1,3-thiazol-4-yl]benzoate
CID 41274445
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 60551837

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide?
The IUPAC name of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide (CID 16910539) is N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide is O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccc(F)cc2F)cs1.
What is the InChIKey of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide?
The InChIKey is KUUKVCZBLFZZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O3S2/c19-11-1-4-13(5-2-11)28(25,26)8-7-17(24)23-18-22-16(10-27-18)14-6-3-12(20)9-15(14)21/h1-6,9-10H,7-8H2,(H,22,23,24).
What are the key properties of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide?
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide has a molecular weight of 426.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 16910539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).