5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide

C15H16BrN3O4S — CID 9106525

IUPAC5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(Br)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H16BrN3O4S/c1-19(2)24(21,22)14-7-12(4-5-13(14)23-3)18-15(20)10-6-11(16)9-17-8-10/h4-9H,1-3H3,(H,18,20)
InChIKeyUFTNPQSUHWYPBU-UHFFFAOYSA-N
MW414.28 g/mol
LogP2.36
Rot. Bonds5

About 5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide

5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide (PubChem CID 9106525) has the molecular formula C15H16BrN3O4S and a molecular weight of 414.28 g/mol. Its IUPAC name is 5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide
PubChem CID9106525
Molecular FormulaC15H16BrN3O4S
Molecular Weight414.28 g/mol
Exact Mass413.00
IUPAC Name5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(Br)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C15H16BrN3O4S/c1-19(2)24(21,22)14-7-12(4-5-13(14)23-3)18-15(20)10-6-11(16)9-17-8-10/h4-9H,1-3H3,(H,18,20)
InChIKeyUFTNPQSUHWYPBU-UHFFFAOYSA-N
XLogP2.36
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-propan-2-ylbenzamide
CID 9106497
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 45374065
N-[4-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 55653581
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 30838314
5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 1267701
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2,4-dimethoxybenzamide
CID 9106537
3-(dimethylsulfamoyl)-4-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 45374027
methyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
CID 55556618
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-methyl-4-nitrobenzamide
CID 9106568
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 25439136
N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55339628

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide (CID 9106525) is 5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide is COc1ccc(NC(=O)c2cncc(Br)c2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide?
The InChIKey is UFTNPQSUHWYPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O4S/c1-19(2)24(21,22)14-7-12(4-5-13(14)23-3)18-15(20)10-6-11(16)9-17-8-10/h4-9H,1-3H3,(H,18,20).
What are the key properties of 5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide?
5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide has a molecular weight of 414.28 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 9106525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).