6-bromo-N-[2-(diethylsulfamoyl)phenyl]sulfonyl-5-methoxypyridine-2-carboxamide

C17H20BrN3O6S2 — CID 23002389

IUPAC6-bromo-N-[2-(diethylsulfamoyl)phenyl]sulfonyl-5-methoxypyridine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)c1ccc(OC)c(Br)n1
InChIInChI=1S/C17H20BrN3O6S2/c1-4-21(5-2)29(25,26)15-9-7-6-8-14(15)28(23,24)20-17(22)12-10-11-13(27-3)16(18)19-12/h6-11H,4-5H2,1-3H3,(H,20,22)
InChIKeyOLANGQIJYCHRIP-UHFFFAOYSA-N
MW506.40 g/mol
LogP2.00
Rot. Bonds8

About 6-bromo-N-[2-(diethylsulfamoyl)phenyl]sulfonyl-5-methoxypyridine-2-carboxamide

6-bromo-N-[2-(diethylsulfamoyl)phenyl]sulfonyl-5-methoxypyridine-2-carboxamide (PubChem CID 23002389) has the molecular formula C17H20BrN3O6S2 and a molecular weight of 506.40 g/mol. Its IUPAC name is 6-bromo-N-[2-(diethylsulfamoyl)phenyl]sulfonyl-5-methoxypyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(diethylsulfamoyl)phenyl]sulfonyl-5-methoxypyridine-2-carboxamide
PubChem CID23002389
Molecular FormulaC17H20BrN3O6S2
Molecular Weight506.40 g/mol
Exact Mass505.00
IUPAC Name6-bromo-N-[2-(diethylsulfamoyl)phenyl]sulfonyl-5-methoxypyridine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)c1ccc(OC)c(Br)n1
InChIInChI=1S/C17H20BrN3O6S2/c1-4-21(5-2)29(25,26)15-9-7-6-8-14(15)28(23,24)20-17(22)12-10-11-13(27-3)16(18)19-12/h6-11H,4-5H2,1-3H3,(H,20,22)
InChIKeyOLANGQIJYCHRIP-UHFFFAOYSA-N
XLogP2.00
TPSA122.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide
CID 3900555
3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide
CID 55613417
ethyl 3-[(6-bromo-5-methoxypyridine-2-carbonyl)amino]-3-(2-methylphenyl)propanoate
CID 88924989
methyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 79378680
5-[(2-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19970342
5-(diethylsulfamoyl)-2-methoxy-N-phenylbenzamide
CID 19257737
3-(diethylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide
CID 55663083
N-(5-tert-butyl-2-methoxyphenyl)sulfonyl-5-(dimethylamino)quinoline-2-carboxamide
CID 176957687
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-methylpyridine-2-carboxamide
CID 31912749
3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide
CID 18109975
1-(2-methoxy-5-methylphenyl)-N-(2-methylphenyl)sulfonylpyrazole-3-carboxamide
CID 48647201
N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 52707757

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(diethylsulfamoyl)phenyl]sulfonyl-5-methoxypyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[2-(diethylsulfamoyl)phenyl]sulfonyl-5-methoxypyridine-2-carboxamide (CID 23002389) is 6-bromo-N-[2-(diethylsulfamoyl)phenyl]sulfonyl-5-methoxypyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(diethylsulfamoyl)phenyl]sulfonyl-5-methoxypyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(diethylsulfamoyl)phenyl]sulfonyl-5-methoxypyridine-2-carboxamide is CCN(CC)S(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)c1ccc(OC)c(Br)n1.
What is the InChIKey of 6-bromo-N-[2-(diethylsulfamoyl)phenyl]sulfonyl-5-methoxypyridine-2-carboxamide?
The InChIKey is OLANGQIJYCHRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O6S2/c1-4-21(5-2)29(25,26)15-9-7-6-8-14(15)28(23,24)20-17(22)12-10-11-13(27-3)16(18)19-12/h6-11H,4-5H2,1-3H3,(H,20,22).
What are the key properties of 6-bromo-N-[2-(diethylsulfamoyl)phenyl]sulfonyl-5-methoxypyridine-2-carboxamide?
6-bromo-N-[2-(diethylsulfamoyl)phenyl]sulfonyl-5-methoxypyridine-2-carboxamide has a molecular weight of 506.40 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(diethylsulfamoyl)phenyl]sulfonyl-5-methoxypyridine-2-carboxamide is sourced from PubChem (CID 23002389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).