2-chloro-5-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

C17H16ClN3O3S2 — CID 2086562

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1nc2ccc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)cc2s1
InChIInChI=1S/C17H16ClN3O3S2/c1-10-19-15-7-4-11(8-16(15)25-10)20-17(22)13-9-12(5-6-14(13)18)26(23,24)21(2)3/h4-9H,1-3H3,(H,20,22)
InChIKeyCTJWHPHEOMUIPM-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.76
Rot. Bonds4

About 2-chloro-5-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

2-chloro-5-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 2086562) has the molecular formula C17H16ClN3O3S2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID2086562
Molecular FormulaC17H16ClN3O3S2
Molecular Weight409.92 g/mol
Exact Mass409.03
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1nc2ccc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)cc2s1
InChIInChI=1S/C17H16ClN3O3S2/c1-10-19-15-7-4-11(8-16(15)25-10)20-17(22)13-9-12(5-6-14(13)18)26(23,24)21(2)3/h4-9H,1-3H3,(H,20,22)
InChIKeyCTJWHPHEOMUIPM-UHFFFAOYSA-N
XLogP3.76
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (CID 2086562) is 2-chloro-5-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is Cc1nc2ccc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)cc2s1.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is CTJWHPHEOMUIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S2/c1-10-19-15-7-4-11(8-16(15)25-10)20-17(22)13-9-12(5-6-14(13)18)26(23,24)21(2)3/h4-9H,1-3H3,(H,20,22).
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
2-chloro-5-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 409.92 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 2086562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).