4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide

C12H14N4O2S — CID 82059643

IUPAC4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide
SMILESCc1ccc(N)c(Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C12H14N4O2S/c1-8-2-7-11(13)12(15-8)16-9-3-5-10(6-4-9)19(14,17)18/h2-7H,13H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyCGBBJGKIAJKEHS-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.36
Rot. Bonds3

About 4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide

4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide (PubChem CID 82059643) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide
PubChem CID82059643
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide
SMILESCc1ccc(N)c(Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C12H14N4O2S/c1-8-2-7-11(13)12(15-8)16-9-3-5-10(6-4-9)19(14,17)18/h2-7H,13H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyCGBBJGKIAJKEHS-UHFFFAOYSA-N
XLogP1.36
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide 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

4-[(3-amino-6-methyl-2-pyridinyl)amino]phenol
CID 82061053
2-N-(4-chlorophenyl)-6-methylpyridine-2,3-diamine
CID 79020853
4-[(2,6-dimethylpyrimidin-4-yl)amino]benzenesulfonamide
CID 15788206
2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide
CID 81132077
2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine
CID 115376279
4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide
CID 2881633
2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine
CID 81132199
4-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzenesulfonamide
CID 115361109
4-aminobenzenesulfonamide;fluoromethane
CID 159574204
4-[(2-propan-2-ylquinazolin-4-yl)amino]benzenesulfonamide
CID 110434808
6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine
CID 79020854
4-[(6-amino-4,4-dimethyl-1H-1,3,5-triazin-2-yl)amino]benzenesulfonamide
CID 170987803

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide?
The IUPAC name of 4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide (CID 82059643) is 4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide is Cc1ccc(N)c(Nc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide?
The InChIKey is CGBBJGKIAJKEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-8-2-7-11(13)12(15-8)16-9-3-5-10(6-4-9)19(14,17)18/h2-7H,13H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide?
4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide has a molecular weight of 278.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide is sourced from PubChem (CID 82059643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).