2-amino-5-bromo-N-(2,5-dimethoxyphenyl)-N-methylpyridine-3-sulfonamide

C14H16BrN3O4S — CID 6623919

IUPAC2-amino-5-bromo-N-(2,5-dimethoxyphenyl)-N-methylpyridine-3-sulfonamide
SMILESCOc1ccc(OC)c(N(C)S(=O)(=O)c2cc(Br)cnc2N)c1
InChIInChI=1S/C14H16BrN3O4S/c1-18(11-7-10(21-2)4-5-12(11)22-3)23(19,20)13-6-9(15)8-17-14(13)16/h4-8H,1-3H3,(H2,16,17)
InChIKeyNIZFVRBYPZKISM-UHFFFAOYSA-N
MW402.27 g/mol
LogP2.27
Rot. Bonds5

About 2-amino-5-bromo-N-(2,5-dimethoxyphenyl)-N-methylpyridine-3-sulfonamide

2-amino-5-bromo-N-(2,5-dimethoxyphenyl)-N-methylpyridine-3-sulfonamide (PubChem CID 6623919) has the molecular formula C14H16BrN3O4S and a molecular weight of 402.27 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2,5-dimethoxyphenyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2,5-dimethoxyphenyl)-N-methylpyridine-3-sulfonamide
PubChem CID6623919
Molecular FormulaC14H16BrN3O4S
Molecular Weight402.27 g/mol
Exact Mass401.00
IUPAC Name2-amino-5-bromo-N-(2,5-dimethoxyphenyl)-N-methylpyridine-3-sulfonamide
SMILESCOc1ccc(OC)c(N(C)S(=O)(=O)c2cc(Br)cnc2N)c1
InChIInChI=1S/C14H16BrN3O4S/c1-18(11-7-10(21-2)4-5-12(11)22-3)23(19,20)13-6-9(15)8-17-14(13)16/h4-8H,1-3H3,(H2,16,17)
InChIKeyNIZFVRBYPZKISM-UHFFFAOYSA-N
XLogP2.27
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-bromo-N-(2,5-dimethoxyphenyl)-N-methylpyridine-3-sulfonamide 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

2-[(2-amino-5-bromo-3-pyridyl)sulfonyl-methyl-amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 22516449
5-Bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylpyridin-2-amine
CID 22515858
3-(2-Amino-5-bromopyridine-3-sulfonamido)-N-(2,5-diethoxyphenyl)propanamide
CID 24792866
3-(2-Amino-5-bromopyridine-3-sulfonamido)-N-(3,5-dimethoxyphenyl)propanamide
CID 24791921
2-Amino-5-bromo-N-{3-[4-(2-methoxyphenyl)piperazin-1-YL]-3-oxopropyl}pyridine-3-sulfonamide
CID 24789925
2-amino-5-bromo-N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide
CID 22515825
2-amino-5-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide
CID 22515906
5-Bromo-3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpyridin-2-amine
CID 22515912
3-(2-Amino-5-bromopyridine-3-sulfonamido)-N-(2,5-dimethoxyphenyl)propanamide
CID 24791920
3-(2-Amino-5-bromopyridine-3-sulfonamido)-N-(3,4-dimethoxyphenyl)propanamide
CID 24792772
2-amino-5-bromo-N-(4-methoxyphenyl)pyridine-3-sulfonamide
CID 6623862
2-amino-5-bromo-N-(2-methoxyphenyl)-N-propylpyridine-3-sulfonamide
CID 6623892

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2,5-dimethoxyphenyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(2,5-dimethoxyphenyl)-N-methylpyridine-3-sulfonamide (CID 6623919) is 2-amino-5-bromo-N-(2,5-dimethoxyphenyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2,5-dimethoxyphenyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(2,5-dimethoxyphenyl)-N-methylpyridine-3-sulfonamide is COc1ccc(OC)c(N(C)S(=O)(=O)c2cc(Br)cnc2N)c1.
What is the InChIKey of 2-amino-5-bromo-N-(2,5-dimethoxyphenyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is NIZFVRBYPZKISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O4S/c1-18(11-7-10(21-2)4-5-12(11)22-3)23(19,20)13-6-9(15)8-17-14(13)16/h4-8H,1-3H3,(H2,16,17).
What are the key properties of 2-amino-5-bromo-N-(2,5-dimethoxyphenyl)-N-methylpyridine-3-sulfonamide?
2-amino-5-bromo-N-(2,5-dimethoxyphenyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 402.27 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2,5-dimethoxyphenyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 6623919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).