N'-(4-methylphenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenecarboximidamide

C21H18N4O3S — CID 6216524

IUPACN'-(4-methylphenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)/N=C(/Nc2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2)cc1
InChIInChI=1S/C21H18N4O3S/c1-14-7-10-17(11-8-14)29(27,28)25-20(15-5-3-2-4-6-15)22-16-9-12-18-19(13-16)24-21(26)23-18/h2-13H,1H3,(H,22,25)(H2,23,24,26)
InChIKeyUEKVIJSTUYQKSZ-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.41
Rot. Bonds4

About N'-(4-methylphenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenecarboximidamide

N'-(4-methylphenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenecarboximidamide (PubChem CID 6216524) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is N'-(4-methylphenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-methylphenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenecarboximidamide
PubChem CID6216524
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC NameN'-(4-methylphenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)/N=C(/Nc2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2)cc1
InChIInChI=1S/C21H18N4O3S/c1-14-7-10-17(11-8-14)29(27,28)25-20(15-5-3-2-4-6-15)22-16-9-12-18-19(13-16)24-21(26)23-18/h2-13H,1H3,(H,22,25)(H2,23,24,26)
InChIKeyUEKVIJSTUYQKSZ-UHFFFAOYSA-N
XLogP3.41
TPSA107.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(4-methylphenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenecarboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenecarboximidamide?
The IUPAC name of N'-(4-methylphenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenecarboximidamide (CID 6216524) is N'-(4-methylphenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenecarboximidamide.
What is the SMILES notation for N'-(4-methylphenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenecarboximidamide?
The canonical SMILES for N'-(4-methylphenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenecarboximidamide is Cc1ccc(S(=O)(=O)/N=C(/Nc2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2)cc1.
What is the InChIKey of N'-(4-methylphenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenecarboximidamide?
The InChIKey is UEKVIJSTUYQKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-14-7-10-17(11-8-14)29(27,28)25-20(15-5-3-2-4-6-15)22-16-9-12-18-19(13-16)24-21(26)23-18/h2-13H,1H3,(H,22,25)(H2,23,24,26).
What are the key properties of N'-(4-methylphenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenecarboximidamide?
N'-(4-methylphenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenecarboximidamide has a molecular weight of 406.47 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenecarboximidamide is sourced from PubChem (CID 6216524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).