4-cyano-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide

C17H14N4O3S2 — CID 27419877

IUPAC4-cyano-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(C#N)cc3)sc2c1
InChIInChI=1S/C17H14N4O3S2/c1-21(2)26(23,24)13-7-8-14-15(9-13)25-17(19-14)20-16(22)12-5-3-11(10-18)4-6-12/h3-9H,1-2H3,(H,19,20,22)
InChIKeyRTMBPPBIFYCNQI-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.67
Rot. Bonds4

About 4-cyano-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide

4-cyano-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide (PubChem CID 27419877) has the molecular formula C17H14N4O3S2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-cyano-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
PubChem CID27419877
Molecular FormulaC17H14N4O3S2
Molecular Weight386.46 g/mol
Exact Mass386.05
IUPAC Name4-cyano-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(C#N)cc3)sc2c1
InChIInChI=1S/C17H14N4O3S2/c1-21(2)26(23,24)13-7-8-14-15(9-13)25-17(19-14)20-16(22)12-5-3-11(10-18)4-6-12/h3-9H,1-2H3,(H,19,20,22)
InChIKeyRTMBPPBIFYCNQI-UHFFFAOYSA-N
XLogP2.67
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(diethylsulfamoyl)-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 20932189
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5070509
4-cyano-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 4984782
4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1356009
4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 7202790
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-nitrobenzamide
CID 4075249
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 41232975
N-(6-cyano-1,3-benzothiazol-2-yl)benzamide
CID 25259294
N-(2-benzamido-1,3-benzothiazol-6-yl)-4-cyanobenzamide
CID 46290848
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide
CID 41232987
5-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
CID 20932194
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-fluorobenzamide
CID 3594581

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 4-cyano-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide (CID 27419877) is 4-cyano-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 4-cyano-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide is CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(C#N)cc3)sc2c1.
What is the InChIKey of 4-cyano-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is RTMBPPBIFYCNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S2/c1-21(2)26(23,24)13-7-8-14-15(9-13)25-17(19-14)20-16(22)12-5-3-11(10-18)4-6-12/h3-9H,1-2H3,(H,19,20,22).
What are the key properties of 4-cyano-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide?
4-cyano-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 386.46 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 27419877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).