2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide

C17H15Cl2N3O3S3 — CID 3884112

IUPAC2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3cc(Cl)ccc3s2)c1
InChIInChI=1S/C17H15Cl2N3O3S3/c1-22(2)28(24,25)11-4-5-12(19)13(8-11)20-16(23)9-26-17-21-14-7-10(18)3-6-15(14)27-17/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyOEBPEOJCCCJXBP-UHFFFAOYSA-N
MW476.43 g/mol
LogP4.58
Rot. Bonds6

About 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide

2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 3884112) has the molecular formula C17H15Cl2N3O3S3 and a molecular weight of 476.43 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID3884112
Molecular FormulaC17H15Cl2N3O3S3
Molecular Weight476.43 g/mol
Exact Mass474.97
IUPAC Name2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3cc(Cl)ccc3s2)c1
InChIInChI=1S/C17H15Cl2N3O3S3/c1-22(2)28(24,25)11-4-5-12(19)13(8-11)20-16(23)9-26-17-21-14-7-10(18)3-6-15(14)27-17/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyOEBPEOJCCCJXBP-UHFFFAOYSA-N
XLogP4.58
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 3978935
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CID 4983753
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-chloro-4-nitrophenyl)acetamide
CID 3463949
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 5024075
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide
CID 3872656
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
CID 1379298
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 3850892
2-[[5-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 4243618
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[7-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide
CID 17325039
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-pentan-3-ylacetamide
CID 3923725
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 3427027
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2359493

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide (CID 3884112) is 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3cc(Cl)ccc3s2)c1.
What is the InChIKey of 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is OEBPEOJCCCJXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3S3/c1-22(2)28(24,25)11-4-5-12(19)13(8-11)20-16(23)9-26-17-21-14-7-10(18)3-6-15(14)27-17/h3-8H,9H2,1-2H3,(H,20,23).
What are the key properties of 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide?
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 476.43 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 3884112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).