3-[(4-bromophenyl)sulfamoyl]-N-(6-methoxy-3-pyridinyl)benzamide

C19H16BrN3O4S — CID 2541488

IUPAC3-[(4-bromophenyl)sulfamoyl]-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)cn1
InChIInChI=1S/C19H16BrN3O4S/c1-27-18-10-9-16(12-21-18)22-19(24)13-3-2-4-17(11-13)28(25,26)23-15-7-5-14(20)6-8-15/h2-12,23H,1H3,(H,22,24)
InChIKeyJRTSXXIIJPIQOB-UHFFFAOYSA-N
MW462.33 g/mol
LogP3.91
Rot. Bonds6

About 3-[(4-bromophenyl)sulfamoyl]-N-(6-methoxy-3-pyridinyl)benzamide

3-[(4-bromophenyl)sulfamoyl]-N-(6-methoxy-3-pyridinyl)benzamide (PubChem CID 2541488) has the molecular formula C19H16BrN3O4S and a molecular weight of 462.33 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfamoyl]-N-(6-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfamoyl]-N-(6-methoxy-3-pyridinyl)benzamide
PubChem CID2541488
Molecular FormulaC19H16BrN3O4S
Molecular Weight462.33 g/mol
Exact Mass461.00
IUPAC Name3-[(4-bromophenyl)sulfamoyl]-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)cn1
InChIInChI=1S/C19H16BrN3O4S/c1-27-18-10-9-16(12-21-18)22-19(24)13-3-2-4-17(11-13)28(25,26)23-15-7-5-14(20)6-8-15/h2-12,23H,1H3,(H,22,24)
InChIKeyJRTSXXIIJPIQOB-UHFFFAOYSA-N
XLogP3.91
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.33
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-(6-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-(6-methoxy-3-pyridinyl)benzamide (CID 2541488) is 3-[(4-bromophenyl)sulfamoyl]-N-(6-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfamoyl]-N-(6-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfamoyl]-N-(6-methoxy-3-pyridinyl)benzamide is COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)cn1.
What is the InChIKey of 3-[(4-bromophenyl)sulfamoyl]-N-(6-methoxy-3-pyridinyl)benzamide?
The InChIKey is JRTSXXIIJPIQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O4S/c1-27-18-10-9-16(12-21-18)22-19(24)13-3-2-4-17(11-13)28(25,26)23-15-7-5-14(20)6-8-15/h2-12,23H,1H3,(H,22,24).
What are the key properties of 3-[(4-bromophenyl)sulfamoyl]-N-(6-methoxy-3-pyridinyl)benzamide?
3-[(4-bromophenyl)sulfamoyl]-N-(6-methoxy-3-pyridinyl)benzamide has a molecular weight of 462.33 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfamoyl]-N-(6-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 2541488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).