2-bromo-N-(pyridin-2-ylmethyl)-5-sulfamoylbenzamide

C13H12BrN3O3S — CID 9414471

IUPAC2-bromo-N-(pyridin-2-ylmethyl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C13H12BrN3O3S/c14-12-5-4-10(21(15,19)20)7-11(12)13(18)17-8-9-3-1-2-6-16-9/h1-7H,8H2,(H,17,18)(H2,15,19,20)
InChIKeyCMAZBIRWDNIOQU-UHFFFAOYSA-N
MW370.23 g/mol
LogP1.42
Rot. Bonds4

About 2-bromo-N-(pyridin-2-ylmethyl)-5-sulfamoylbenzamide

2-bromo-N-(pyridin-2-ylmethyl)-5-sulfamoylbenzamide (PubChem CID 9414471) has the molecular formula C13H12BrN3O3S and a molecular weight of 370.23 g/mol. Its IUPAC name is 2-bromo-N-(pyridin-2-ylmethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(pyridin-2-ylmethyl)-5-sulfamoylbenzamide
PubChem CID9414471
Molecular FormulaC13H12BrN3O3S
Molecular Weight370.23 g/mol
Exact Mass368.98
IUPAC Name2-bromo-N-(pyridin-2-ylmethyl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C13H12BrN3O3S/c14-12-5-4-10(21(15,19)20)7-11(12)13(18)17-8-9-3-1-2-6-16-9/h1-7H,8H2,(H,17,18)(H2,15,19,20)
InChIKeyCMAZBIRWDNIOQU-UHFFFAOYSA-N
XLogP1.42
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-sulfamoylbenzamide
CID 55692623
2-bromo-N-(2-phenoxyethyl)-5-sulfamoylbenzamide
CID 26676757
2-[(2-bromobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 26549863
2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 113338677
2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 43132619
2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 31540706
5-amino-2-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 54914226
2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1150876
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-5-sulfamoylbenzamide
CID 55349817
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
3-bromo-5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 58458867
2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 2973231

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(pyridin-2-ylmethyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-bromo-N-(pyridin-2-ylmethyl)-5-sulfamoylbenzamide (CID 9414471) is 2-bromo-N-(pyridin-2-ylmethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-N-(pyridin-2-ylmethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-N-(pyridin-2-ylmethyl)-5-sulfamoylbenzamide is NS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccccn2)c1.
What is the InChIKey of 2-bromo-N-(pyridin-2-ylmethyl)-5-sulfamoylbenzamide?
The InChIKey is CMAZBIRWDNIOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3S/c14-12-5-4-10(21(15,19)20)7-11(12)13(18)17-8-9-3-1-2-6-16-9/h1-7H,8H2,(H,17,18)(H2,15,19,20).
What are the key properties of 2-bromo-N-(pyridin-2-ylmethyl)-5-sulfamoylbenzamide?
2-bromo-N-(pyridin-2-ylmethyl)-5-sulfamoylbenzamide has a molecular weight of 370.23 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(pyridin-2-ylmethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 9414471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).