3-[(4-bromophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzamide

C15H12BrN5O3S — CID 30864927

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H12BrN5O3S/c16-11-4-6-13(7-5-11)25(23,24)21-12-3-1-2-10(8-12)14(22)19-15-17-9-18-20-15/h1-9,21H,(H2,17,18,19,20,22)
InChIKeyJAGFIPRGMRSZHZ-UHFFFAOYSA-N
MW422.26 g/mol
LogP2.62
Rot. Bonds5

About 3-[(4-bromophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzamide

3-[(4-bromophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 30864927) has the molecular formula C15H12BrN5O3S and a molecular weight of 422.26 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID30864927
Molecular FormulaC15H12BrN5O3S
Molecular Weight422.26 g/mol
Exact Mass420.98
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H12BrN5O3S/c16-11-4-6-13(7-5-11)25(23,24)21-12-3-1-2-10(8-12)14(22)19-15-17-9-18-20-15/h1-9,21H,(H2,17,18,19,20,22)
InChIKeyJAGFIPRGMRSZHZ-UHFFFAOYSA-N
XLogP2.62
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.26
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289
3-[(4-bromophenyl)sulfonylamino]-N-(3-methyl-2-pyridinyl)benzamide
CID 35033473
3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide
CID 26538067
4-[(3-nitrophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 3662701
3-[[3-[(4-bromophenyl)carbamoyl]phenyl]sulfonylamino]benzoate
CID 6965043
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 100513322
3-[(4-bromophenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 39031623
3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 18161967
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 2380796
N-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 27649646
3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34111798
3-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 3807378

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 30864927) is 3-[(4-bromophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1ncn[nH]1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is JAGFIPRGMRSZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN5O3S/c16-11-4-6-13(7-5-11)25(23,24)21-12-3-1-2-10(8-12)14(22)19-15-17-9-18-20-15/h1-9,21H,(H2,17,18,19,20,22).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzamide?
3-[(4-bromophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 422.26 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 30864927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).