4-[(4-bromo-2-pyridinyl)sulfamoyl]benzamide

C12H10BrN3O3S — CID 102671827

IUPAC4-[(4-bromo-2-pyridinyl)sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)Nc2cc(Br)ccn2)cc1
InChIInChI=1S/C12H10BrN3O3S/c13-9-5-6-15-11(7-9)16-20(18,19)10-3-1-8(2-4-10)12(14)17/h1-7H,(H2,14,17)(H,15,16)
InChIKeyHWJRNTNYECCKGT-UHFFFAOYSA-N
MW356.20 g/mol
LogP1.74
Rot. Bonds4

About 4-[(4-bromo-2-pyridinyl)sulfamoyl]benzamide

4-[(4-bromo-2-pyridinyl)sulfamoyl]benzamide (PubChem CID 102671827) has the molecular formula C12H10BrN3O3S and a molecular weight of 356.20 g/mol. Its IUPAC name is 4-[(4-bromo-2-pyridinyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[(4-bromo-2-pyridinyl)sulfamoyl]benzamide
PubChem CID102671827
Molecular FormulaC12H10BrN3O3S
Molecular Weight356.20 g/mol
Exact Mass354.96
IUPAC Name4-[(4-bromo-2-pyridinyl)sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)Nc2cc(Br)ccn2)cc1
InChIInChI=1S/C12H10BrN3O3S/c13-9-5-6-15-11(7-9)16-20(18,19)10-3-1-8(2-4-10)12(14)17/h1-7H,(H2,14,17)(H,15,16)
InChIKeyHWJRNTNYECCKGT-UHFFFAOYSA-N
XLogP1.74
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-pyridinyl)-4-cyanobenzenesulfonamide
CID 102671853
3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide
CID 102671942
4-[(4-methyl-2-pyridinyl)sulfamoyl]benzenecarbothioamide
CID 30053774
3-bromo-N-(4-bromo-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 102671955
N-(4-bromo-2-pyridinyl)-5-fluoropyridine-3-sulfonamide
CID 102671893
4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzamide
CID 115698308
N-[5-[(4-bromo-2-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 102820677
4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 27187010
4-[(2,3,5,6-tetrafluorophenyl)sulfamoyl]benzamide
CID 86792679
4-bromo-2-[(4-bromophenyl)sulfonylamino]benzenecarbothioamide
CID 107799027
4-[(6-fluoro-3-pyridinyl)sulfamoyl]benzamide
CID 103775704
4-(methylsulfamoyl)benzamide
CID 43241290

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-pyridinyl)sulfamoyl]benzamide?
The IUPAC name of 4-[(4-bromo-2-pyridinyl)sulfamoyl]benzamide (CID 102671827) is 4-[(4-bromo-2-pyridinyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-[(4-bromo-2-pyridinyl)sulfamoyl]benzamide?
The canonical SMILES for 4-[(4-bromo-2-pyridinyl)sulfamoyl]benzamide is NC(=O)c1ccc(S(=O)(=O)Nc2cc(Br)ccn2)cc1.
What is the InChIKey of 4-[(4-bromo-2-pyridinyl)sulfamoyl]benzamide?
The InChIKey is HWJRNTNYECCKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O3S/c13-9-5-6-15-11(7-9)16-20(18,19)10-3-1-8(2-4-10)12(14)17/h1-7H,(H2,14,17)(H,15,16).
What are the key properties of 4-[(4-bromo-2-pyridinyl)sulfamoyl]benzamide?
4-[(4-bromo-2-pyridinyl)sulfamoyl]benzamide has a molecular weight of 356.20 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-pyridinyl)sulfamoyl]benzamide is sourced from PubChem (CID 102671827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).