N-[2-(dimethylamino)ethyl]-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide

C19H25N7O2S — CID 44588990

IUPACN-[2-(dimethylamino)ethyl]-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)NCCN(C)C)cc3)n2)n1C
InChIInChI=1S/C19H25N7O2S/c1-14-21-13-18(26(14)4)17-9-10-20-19(24-17)23-15-5-7-16(8-6-15)29(27,28)22-11-12-25(2)3/h5-10,13,22H,11-12H2,1-4H3,(H,20,23,24)
InChIKeyHIKMYPBLGKUYLS-UHFFFAOYSA-N
MW415.52 g/mol
LogP1.77
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide

N-[2-(dimethylamino)ethyl]-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 44588990) has the molecular formula C19H25N7O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID44588990
Molecular FormulaC19H25N7O2S
Molecular Weight415.52 g/mol
Exact Mass415.18
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)NCCN(C)C)cc3)n2)n1C
InChIInChI=1S/C19H25N7O2S/c1-14-21-13-18(26(14)4)17-9-10-20-19(24-17)23-15-5-7-16(8-6-15)29(27,28)22-11-12-25(2)3/h5-10,13,22H,11-12H2,1-4H3,(H,20,23,24)
InChIKeyHIKMYPBLGKUYLS-UHFFFAOYSA-N
XLogP1.77
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-(dimethylamino)ethyl]-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]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

Sulfadiazine
CID 5215
Sulfamerazine
CID 5325
Silver Sulfadiazine
CID 441244
Pf-05212377
CID 46203710
4-(2-Methyl-1-(1-methylethyl)-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)-2-pyrimidinamine
CID 16747683
N4-Acetylsulfamerazine
CID 67181
Sulfadiazine Sodium
CID 15899898
N-Methyl-3-(1-methyl-1H-imidazol-4-yl)-4-((4-(trifluoromethyl)phenyl)amino)benzenesulfonamide
CID 137534047
DB-02197
CID 5288527
N-(2-Methoxyethyl)-4-((4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-YL)pyrimidin-2-YL)amino)benzenesulfonamide
CID 24963033
Sulfamerazine Sodium
CID 15899899
Silver(1+) [(4-aminophenyl)sulfonyl](pyrimidin-2-yl)azanide
CID 452254

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 44588990) is N-[2-(dimethylamino)ethyl]-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide is Cc1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)NCCN(C)C)cc3)n2)n1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is HIKMYPBLGKUYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2S/c1-14-21-13-18(26(14)4)17-9-10-20-19(24-17)23-15-5-7-16(8-6-15)29(27,28)22-11-12-25(2)3/h5-10,13,22H,11-12H2,1-4H3,(H,20,23,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
N-[2-(dimethylamino)ethyl]-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 415.52 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 44588990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).