5-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide

C14H12BrN3O3S3 — CID 20932194

IUPAC5-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Br)s3)sc2c1
InChIInChI=1S/C14H12BrN3O3S3/c1-18(2)24(20,21)8-3-4-9-11(7-8)23-14(16-9)17-13(19)10-5-6-12(15)22-10/h3-7H,1-2H3,(H,16,17,19)
InChIKeyWTPZKNGTIZOKAT-UHFFFAOYSA-N
MW446.37 g/mol
LogP3.62
Rot. Bonds4

About 5-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide

5-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide (PubChem CID 20932194) has the molecular formula C14H12BrN3O3S3 and a molecular weight of 446.37 g/mol. Its IUPAC name is 5-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
PubChem CID20932194
Molecular FormulaC14H12BrN3O3S3
Molecular Weight446.37 g/mol
Exact Mass444.92
IUPAC Name5-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Br)s3)sc2c1
InChIInChI=1S/C14H12BrN3O3S3/c1-18(2)24(20,21)8-3-4-9-11(7-8)23-14(16-9)17-13(19)10-5-6-12(15)22-10/h3-7H,1-2H3,(H,16,17,19)
InChIKeyWTPZKNGTIZOKAT-UHFFFAOYSA-N
XLogP3.62
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide
CID 41232987
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5070509
4-(diethylsulfamoyl)-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 20932189
4-cyano-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 27419877
2-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]butanamide
CID 5061232
N-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide
CID 55769726
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-nitrobenzamide
CID 4075249
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide
CID 3660140
5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 3704578
5-chloro-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-nitrobenzamide
CID 3629778
4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1356009
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 41233025

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide (CID 20932194) is 5-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide is CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Br)s3)sc2c1.
What is the InChIKey of 5-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is WTPZKNGTIZOKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3S3/c1-18(2)24(20,21)8-3-4-9-11(7-8)23-14(16-9)17-13(19)10-5-6-12(15)22-10/h3-7H,1-2H3,(H,16,17,19).
What are the key properties of 5-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide?
5-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 446.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 20932194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).