2-(4-chlorophenyl)sulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide

C17H15ClN2O5S2 — CID 18573121

IUPAC2-(4-chlorophenyl)sulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc(OC)c2sc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H15ClN2O5S2/c1-24-12-7-8-13(25-2)16-15(12)20-17(26-16)19-14(21)9-27(22,23)11-5-3-10(18)4-6-11/h3-8H,9H2,1-2H3,(H,19,20,21)
InChIKeyOFVHYTZUBDMLGN-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.38
Rot. Bonds6

About 2-(4-chlorophenyl)sulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide

2-(4-chlorophenyl)sulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 18573121) has the molecular formula C17H15ClN2O5S2 and a molecular weight of 426.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID18573121
Molecular FormulaC17H15ClN2O5S2
Molecular Weight426.90 g/mol
Exact Mass426.01
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc(OC)c2sc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H15ClN2O5S2/c1-24-12-7-8-13(25-2)16-15(12)20-17(26-16)19-14(21)9-27(22,23)11-5-3-10(18)4-6-11/h3-8H,9H2,1-2H3,(H,19,20,21)
InChIKeyOFVHYTZUBDMLGN-UHFFFAOYSA-N
XLogP3.38
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 41151739
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 41322234
N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 27449091
2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 18587083
2-(4-chlorophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 25392753
2-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 27449078
2-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 22584795
N-(3-acetamido-4-methoxyphenyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 35348603
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 18586958
3-(4-chlorophenyl)sulfonyl-N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide
CID 41151675
2-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 55361701
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 7543712

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide (CID 18573121) is 2-(4-chlorophenyl)sulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide is COc1ccc(OC)c2sc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is OFVHYTZUBDMLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O5S2/c1-24-12-7-8-13(25-2)16-15(12)20-17(26-16)19-14(21)9-27(22,23)11-5-3-10(18)4-6-11/h3-8H,9H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide?
2-(4-chlorophenyl)sulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 426.90 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 18573121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).