2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide

C17H13ClFN3O3S2 — CID 18571924

IUPAC2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)Nc1ccc(F)cc1
InChIInChI=1S/C17H13ClFN3O3S2/c18-11-1-7-15(8-2-11)27(24,25)22-17-21-14(10-26-17)9-16(23)20-13-5-3-12(19)4-6-13/h1-8,10H,9H2,(H,20,23)(H,21,22)
InChIKeyGGMKQCNKMMCFGP-UHFFFAOYSA-N
MW425.89 g/mol
LogP3.92
Rot. Bonds6

About 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide

2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 18571924) has the molecular formula C17H13ClFN3O3S2 and a molecular weight of 425.89 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
PubChem CID18571924
Molecular FormulaC17H13ClFN3O3S2
Molecular Weight425.89 g/mol
Exact Mass425.01
IUPAC Name2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)Nc1ccc(F)cc1
InChIInChI=1S/C17H13ClFN3O3S2/c18-11-1-7-15(8-2-11)27(24,25)22-17-21-14(10-26-17)9-16(23)20-13-5-3-12(19)4-6-13/h1-8,10H,9H2,(H,20,23)(H,21,22)
InChIKeyGGMKQCNKMMCFGP-UHFFFAOYSA-N
XLogP3.92
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide
CID 41231527
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-sulfamoylphenyl)acetamide
CID 41211564
4-[[2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 18572014
2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 18571918
2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 18571965
2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16820720
N-(3,4-difluorophenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
CID 30941160
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-chlorophenyl)acetamide
CID 30940405
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 108802061
N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 18572007
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide (CID 18571924) is 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide is O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is GGMKQCNKMMCFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3S2/c18-11-1-7-15(8-2-11)27(24,25)22-17-21-14(10-26-17)9-16(23)20-13-5-3-12(19)4-6-13/h1-8,10H,9H2,(H,20,23)(H,21,22).
What are the key properties of 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide?
2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 425.89 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 18571924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).