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

C17H17N3O3S2 — CID 2085779

IUPAC4-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2s1
InChIInChI=1S/C17H17N3O3S2/c1-11-18-15-9-6-13(10-16(15)24-11)19-17(21)12-4-7-14(8-5-12)25(22,23)20(2)3/h4-10H,1-3H3,(H,19,21)
InChIKeyOAISBTCJQUNHKZ-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.11
Rot. Bonds4

About 4-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

4-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 2085779) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID2085779
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC Name4-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2s1
InChIInChI=1S/C17H17N3O3S2/c1-11-18-15-9-6-13(10-16(15)24-11)19-17(21)12-4-7-14(8-5-12)25(22,23)20(2)3/h4-10H,1-3H3,(H,19,21)
InChIKeyOAISBTCJQUNHKZ-UHFFFAOYSA-N
XLogP3.11
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (CID 2085779) is 4-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2s1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is OAISBTCJQUNHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-11-18-15-9-6-13(10-16(15)24-11)19-17(21)12-4-7-14(8-5-12)25(22,23)20(2)3/h4-10H,1-3H3,(H,19,21).
What are the key properties of 4-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
4-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 375.48 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 2085779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).