2-bromo-N-(4-methyl-2-pyridinyl)-5-sulfamoylbenzamide

C13H12BrN3O3S — CID 134050397

IUPAC2-bromo-N-(4-methyl-2-pyridinyl)-5-sulfamoylbenzamide
SMILESCc1ccnc(NC(=O)c2cc(S(N)(=O)=O)ccc2Br)c1
InChIInChI=1S/C13H12BrN3O3S/c1-8-4-5-16-12(6-8)17-13(18)10-7-9(21(15,19)20)2-3-11(10)14/h2-7H,1H3,(H2,15,19,20)(H,16,17,18)
InChIKeyGKSWZDNDBMSKER-UHFFFAOYSA-N
MW370.23 g/mol
LogP2.05
Rot. Bonds3

About 2-bromo-N-(4-methyl-2-pyridinyl)-5-sulfamoylbenzamide

2-bromo-N-(4-methyl-2-pyridinyl)-5-sulfamoylbenzamide (PubChem CID 134050397) has the molecular formula C13H12BrN3O3S and a molecular weight of 370.23 g/mol. Its IUPAC name is 2-bromo-N-(4-methyl-2-pyridinyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-methyl-2-pyridinyl)-5-sulfamoylbenzamide
PubChem CID134050397
Molecular FormulaC13H12BrN3O3S
Molecular Weight370.23 g/mol
Exact Mass368.98
IUPAC Name2-bromo-N-(4-methyl-2-pyridinyl)-5-sulfamoylbenzamide
SMILESCc1ccnc(NC(=O)c2cc(S(N)(=O)=O)ccc2Br)c1
InChIInChI=1S/C13H12BrN3O3S/c1-8-4-5-16-12(6-8)17-13(18)10-7-9(21(15,19)20)2-3-11(10)14/h2-7H,1H3,(H2,15,19,20)(H,16,17,18)
InChIKeyGKSWZDNDBMSKER-UHFFFAOYSA-N
XLogP2.05
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-methyl-2-pyridinyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-bromo-N-(4-methyl-2-pyridinyl)-5-sulfamoylbenzamide (CID 134050397) is 2-bromo-N-(4-methyl-2-pyridinyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-N-(4-methyl-2-pyridinyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-N-(4-methyl-2-pyridinyl)-5-sulfamoylbenzamide is Cc1ccnc(NC(=O)c2cc(S(N)(=O)=O)ccc2Br)c1.
What is the InChIKey of 2-bromo-N-(4-methyl-2-pyridinyl)-5-sulfamoylbenzamide?
The InChIKey is GKSWZDNDBMSKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3S/c1-8-4-5-16-12(6-8)17-13(18)10-7-9(21(15,19)20)2-3-11(10)14/h2-7H,1H3,(H2,15,19,20)(H,16,17,18).
What are the key properties of 2-bromo-N-(4-methyl-2-pyridinyl)-5-sulfamoylbenzamide?
2-bromo-N-(4-methyl-2-pyridinyl)-5-sulfamoylbenzamide has a molecular weight of 370.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-methyl-2-pyridinyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 134050397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).