2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide

C17H13Cl2N3O3S2 — CID 41231527

IUPAC2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2N3O3S2/c18-14-7-6-11(8-15(14)19)20-16(23)9-12-10-26-17(21-12)22-27(24,25)13-4-2-1-3-5-13/h1-8,10H,9H2,(H,20,23)(H,21,22)
InChIKeyORZKWFSXGQEPKQ-UHFFFAOYSA-N
MW442.35 g/mol
LogP4.43
Rot. Bonds6

About 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide

2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 41231527) has the molecular formula C17H13Cl2N3O3S2 and a molecular weight of 442.35 g/mol. Its IUPAC name is 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide
PubChem CID41231527
Molecular FormulaC17H13Cl2N3O3S2
Molecular Weight442.35 g/mol
Exact Mass440.98
IUPAC Name2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2N3O3S2/c18-14-7-6-11(8-15(14)19)20-16(23)9-12-10-26-17(21-12)22-27(24,25)13-4-2-1-3-5-13/h1-8,10H,9H2,(H,20,23)(H,21,22)
InChIKeyORZKWFSXGQEPKQ-UHFFFAOYSA-N
XLogP4.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.35
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide
CID 41231504
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 108802061
2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 18571924
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methoxy-3-nitrophenyl)acetamide
CID 108789180
2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]butanedioic acid
CID 108789088
2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 18571965
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide
CID 108802071
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 138673654
N-(3,5-dimethylphenyl)-2-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetamide
CID 18572007
11-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]undecanoic acid
CID 108789111
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 11223125

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide (CID 41231527) is 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide is O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is ORZKWFSXGQEPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O3S2/c18-14-7-6-11(8-15(14)19)20-16(23)9-12-10-26-17(21-12)22-27(24,25)13-4-2-1-3-5-13/h1-8,10H,9H2,(H,20,23)(H,21,22).
What are the key properties of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide?
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 442.35 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 41231527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).