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

C15H11BrN4O3S2 — CID 29370201

IUPAC3-[(4-bromophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C15H11BrN4O3S2/c16-11-4-6-12(7-5-11)20-25(22,23)13-3-1-2-10(8-13)14(21)18-15-19-17-9-24-15/h1-9,20H,(H,18,19,21)
InChIKeyRLDNIHGSTSPHGN-UHFFFAOYSA-N
MW439.32 g/mol
LogP3.35
Rot. Bonds5

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

3-[(4-bromophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 29370201) has the molecular formula C15H11BrN4O3S2 and a molecular weight of 439.32 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID29370201
Molecular FormulaC15H11BrN4O3S2
Molecular Weight439.32 g/mol
Exact Mass437.95
IUPAC Name3-[(4-bromophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C15H11BrN4O3S2/c16-11-4-6-12(7-5-11)20-25(22,23)13-3-1-2-10(8-13)14(21)18-15-19-17-9-24-15/h1-9,20H,(H,18,19,21)
InChIKeyRLDNIHGSTSPHGN-UHFFFAOYSA-N
XLogP3.35
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.32
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 1087366
3-[(2-methoxyphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370167
3-(benzamidocarbamoyl)-N-(4-bromophenyl)benzenesulfonamide
CID 27555836
methyl 4-[[3-[(4-bromophenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26583412
N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 1116088
3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 1101754
3-[[3-[(4-bromophenyl)carbamoyl]phenyl]sulfonylamino]benzoate
CID 6965043
2-[(4-bromophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 2336813
N-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 27649646
3-[[(4-bromobenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 2518308
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 100513322
N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 561600

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 29370201) is 3-[(4-bromophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is RLDNIHGSTSPHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O3S2/c16-11-4-6-12(7-5-11)20-25(22,23)13-3-1-2-10(8-13)14(21)18-15-19-17-9-24-15/h1-9,20H,(H,18,19,21).
What are the key properties of 3-[(4-bromophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide?
3-[(4-bromophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 439.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 29370201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).