N-phenyl-N'-sulfamoylbenzenecarboximidamide

C13H13N3O2S — CID 18723552

IUPACN-phenyl-N'-sulfamoylbenzenecarboximidamide
SMILESNS(=O)(=O)/N=C(\Nc1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N3O2S/c14-19(17,18)16-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H,15,16)(H2,14,17,18)
InChIKeyGLMTYWHYLBASQT-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.75
Rot. Bonds3

About N-phenyl-N'-sulfamoylbenzenecarboximidamide

N-phenyl-N'-sulfamoylbenzenecarboximidamide (PubChem CID 18723552) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-phenyl-N'-sulfamoylbenzenecarboximidamide.

Molecular Properties

Compound NameN-phenyl-N'-sulfamoylbenzenecarboximidamide
PubChem CID18723552
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-phenyl-N'-sulfamoylbenzenecarboximidamide
SMILESNS(=O)(=O)/N=C(\Nc1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N3O2S/c14-19(17,18)16-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H,15,16)(H2,14,17,18)
InChIKeyGLMTYWHYLBASQT-UHFFFAOYSA-N
XLogP1.75
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-phenyl-N'-sulfamoylbenzenecarboximidamide 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

N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 6143727
N'-(4-chlorophenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 2950669
N'-(benzenesulfonyl)-N-(4-chlorophenyl)benzenecarboximidamide
CID 6387422
N'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide
CID 4704503
N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide
CID 2177177
4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid
CID 6156703
N'-isocyano-N-phenylbenzenecarboximidamide
CID 18723551
1-[anilino(phenyl)methylidene]-3-phenylthiourea
CID 2853502
N'-(4-methylphenyl)sulfonyl-N-[4-[[4-[[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]phenyl]methyl]phenyl]benzenecarboximidamide
CID 4704513
N'-(4-chlorophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenecarboximidamide
CID 4543922
N-[4-(2-aminoacetyl)phenyl]-N'-(benzenesulfonyl)-4-fluorobenzenecarboximidamide
CID 170860750
N-(3-acetylphenyl)-N'-(4-bromophenyl)sulfonylbenzenecarboximidamide
CID 5047314

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N'-sulfamoylbenzenecarboximidamide?
The IUPAC name of N-phenyl-N'-sulfamoylbenzenecarboximidamide (CID 18723552) is N-phenyl-N'-sulfamoylbenzenecarboximidamide.
What is the SMILES notation for N-phenyl-N'-sulfamoylbenzenecarboximidamide?
The canonical SMILES for N-phenyl-N'-sulfamoylbenzenecarboximidamide is NS(=O)(=O)/N=C(\Nc1ccccc1)c1ccccc1.
What is the InChIKey of N-phenyl-N'-sulfamoylbenzenecarboximidamide?
The InChIKey is GLMTYWHYLBASQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c14-19(17,18)16-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H,15,16)(H2,14,17,18).
What are the key properties of N-phenyl-N'-sulfamoylbenzenecarboximidamide?
N-phenyl-N'-sulfamoylbenzenecarboximidamide has a molecular weight of 275.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N'-sulfamoylbenzenecarboximidamide is sourced from PubChem (CID 18723552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).