3-[[4-(1H-benzimidazol-4-yl)-1,3,5-triazin-2-yl]amino]benzenesulfonamide

C16H13N7O2S — CID 24962848

IUPAC3-[[4-(1H-benzimidazol-4-yl)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2ncnc(-c3cccc4[nH]cnc34)n2)c1
InChIInChI=1S/C16H13N7O2S/c17-26(24,25)11-4-1-3-10(7-11)22-16-21-9-20-15(23-16)12-5-2-6-13-14(12)19-8-18-13/h1-9H,(H,18,19)(H2,17,24,25)(H,20,21,22,23)
InChIKeyFWQMMXRYTLQLCQ-UHFFFAOYSA-N
MW367.39 g/mol
LogP1.81
Rot. Bonds4

About 3-[[4-(1H-benzimidazol-4-yl)-1,3,5-triazin-2-yl]amino]benzenesulfonamide

3-[[4-(1H-benzimidazol-4-yl)-1,3,5-triazin-2-yl]amino]benzenesulfonamide (PubChem CID 24962848) has the molecular formula C16H13N7O2S and a molecular weight of 367.39 g/mol. Its IUPAC name is 3-[[4-(1H-benzimidazol-4-yl)-1,3,5-triazin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[4-(1H-benzimidazol-4-yl)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
PubChem CID24962848
Molecular FormulaC16H13N7O2S
Molecular Weight367.39 g/mol
Exact Mass367.09
IUPAC Name3-[[4-(1H-benzimidazol-4-yl)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2ncnc(-c3cccc4[nH]cnc34)n2)c1
InChIInChI=1S/C16H13N7O2S/c17-26(24,25)11-4-1-3-10(7-11)22-16-21-9-20-15(23-16)12-5-2-6-13-14(12)19-8-18-13/h1-9H,(H,18,19)(H2,17,24,25)(H,20,21,22,23)
InChIKeyFWQMMXRYTLQLCQ-UHFFFAOYSA-N
XLogP1.81
TPSA139.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[4-(1H-benzimidazol-4-yl)-1,3,5-triazin-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

3-[[4-(5-amino-1H-benzimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide;ethane
CID 143712190
3-[[6-(2-methoxyphenyl)-7H-purin-2-yl]amino]benzenesulfonamide
CID 174597300
3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide
CID 153326122
3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)benzenesulfonamide
CID 11405920
[3-[[4-[2-(methoxymethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
CID 53492133
3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 14347156
3-[[5-methyl-4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 59279658
3-[[4-(3-aminoanilino)-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 59174760
3-[[3-(3-sulfamoylanilino)-1H-pyrazol-5-yl]amino]benzenesulfonamide
CID 135063681
3-chloro-5-[[4-(1H-indol-4-yl)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 24962486
3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
CID 4782547
3-[(5-methoxy-4-piperazin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 171849376

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1H-benzimidazol-4-yl)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 3-[[4-(1H-benzimidazol-4-yl)-1,3,5-triazin-2-yl]amino]benzenesulfonamide (CID 24962848) is 3-[[4-(1H-benzimidazol-4-yl)-1,3,5-triazin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 3-[[4-(1H-benzimidazol-4-yl)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 3-[[4-(1H-benzimidazol-4-yl)-1,3,5-triazin-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1cccc(Nc2ncnc(-c3cccc4[nH]cnc34)n2)c1.
What is the InChIKey of 3-[[4-(1H-benzimidazol-4-yl)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The InChIKey is FWQMMXRYTLQLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O2S/c17-26(24,25)11-4-1-3-10(7-11)22-16-21-9-20-15(23-16)12-5-2-6-13-14(12)19-8-18-13/h1-9H,(H,18,19)(H2,17,24,25)(H,20,21,22,23).
What are the key properties of 3-[[4-(1H-benzimidazol-4-yl)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
3-[[4-(1H-benzimidazol-4-yl)-1,3,5-triazin-2-yl]amino]benzenesulfonamide has a molecular weight of 367.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1H-benzimidazol-4-yl)-1,3,5-triazin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 24962848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).