N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide

C17H15BrN4O3S2 — CID 3502280

IUPACN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)cc1
InChIInChI=1S/C17H15BrN4O3S2/c1-22(2)27(24,25)14-9-5-11(6-10-14)15(23)19-17-21-20-16(26-17)12-3-7-13(18)8-4-12/h3-10H,1-2H3,(H,19,21,23)
InChIKeyUNDJENAIICXBFR-UHFFFAOYSA-N
MW467.37 g/mol
LogP3.47
Rot. Bonds5

About N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide

N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 3502280) has the molecular formula C17H15BrN4O3S2 and a molecular weight of 467.37 g/mol. Its IUPAC name is N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide
PubChem CID3502280
Molecular FormulaC17H15BrN4O3S2
Molecular Weight467.37 g/mol
Exact Mass465.98
IUPAC NameN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)cc1
InChIInChI=1S/C17H15BrN4O3S2/c1-22(2)27(24,25)14-9-5-11(6-10-14)15(23)19-17-21-20-16(26-17)12-3-7-13(18)8-4-12/h3-10H,1-2H3,(H,19,21,23)
InChIKeyUNDJENAIICXBFR-UHFFFAOYSA-N
XLogP3.47
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[5-[4-(4-bromophenoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 155943213
N-[5-[4-(4-bromophenoxy)phenyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 155943154
4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 741034
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-chlorobenzamide
CID 5050273
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2324013
3-[(4-bromophenyl)sulfonyl-propylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 42736687
4-(dimethylsulfamoyl)-N-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 4618563
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 3271208
2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-methyl-1,3-thiazole-4-carboxamide
CID 16802416
4-bromo-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4562211
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5070509

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide (CID 3502280) is N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)cc1.
What is the InChIKey of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is UNDJENAIICXBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O3S2/c1-22(2)27(24,25)14-9-5-11(6-10-14)15(23)19-17-21-20-16(26-17)12-3-7-13(18)8-4-12/h3-10H,1-2H3,(H,19,21,23).
What are the key properties of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide?
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 467.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 3502280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).