N-(1,3-benzothiazol-2-ylmethyl)-4-(dimethylsulfamoyl)benzamide

C17H17N3O3S2 — CID 2557847

IUPACN-(1,3-benzothiazol-2-ylmethyl)-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2nc3ccccc3s2)cc1
InChIInChI=1S/C17H17N3O3S2/c1-20(2)25(22,23)13-9-7-12(8-10-13)17(21)18-11-16-19-14-5-3-4-6-15(14)24-16/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyWKPOBLASEGJPQS-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.48
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-4-(dimethylsulfamoyl)benzamide

N-(1,3-benzothiazol-2-ylmethyl)-4-(dimethylsulfamoyl)benzamide (PubChem CID 2557847) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-4-(dimethylsulfamoyl)benzamide
PubChem CID2557847
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2nc3ccccc3s2)cc1
InChIInChI=1S/C17H17N3O3S2/c1-20(2)25(22,23)13-9-7-12(8-10-13)17(21)18-11-16-19-14-5-3-4-6-15(14)24-16/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyWKPOBLASEGJPQS-UHFFFAOYSA-N
XLogP2.48
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-4-(dimethylsulfamoyl)benzamide (CID 2557847) is N-(1,3-benzothiazol-2-ylmethyl)-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-4-(dimethylsulfamoyl)benzamide?
The InChIKey is WKPOBLASEGJPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-20(2)25(22,23)13-9-7-12(8-10-13)17(21)18-11-16-19-14-5-3-4-6-15(14)24-16/h3-10H,11H2,1-2H3,(H,18,21).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-4-(dimethylsulfamoyl)benzamide?
N-(1,3-benzothiazol-2-ylmethyl)-4-(dimethylsulfamoyl)benzamide has a molecular weight of 375.48 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2557847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).