2-amino-N'-methyl-N-[(2-sulfamoylphenyl)methyl]benzenecarboximidamide

C15H18N4O2S — CID 142127726

IUPAC2-amino-N'-methyl-N-[(2-sulfamoylphenyl)methyl]benzenecarboximidamide
SMILESC/N=C(/NCc1ccccc1S(N)(=O)=O)c1ccccc1N
InChIInChI=1S/C15H18N4O2S/c1-18-15(12-7-3-4-8-13(12)16)19-10-11-6-2-5-9-14(11)22(17,20)21/h2-9H,10,16H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyFTEZPDHGYICSKU-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.08
Rot. Bonds4

About 2-amino-N'-methyl-N-[(2-sulfamoylphenyl)methyl]benzenecarboximidamide

2-amino-N'-methyl-N-[(2-sulfamoylphenyl)methyl]benzenecarboximidamide (PubChem CID 142127726) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-amino-N'-methyl-N-[(2-sulfamoylphenyl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-amino-N'-methyl-N-[(2-sulfamoylphenyl)methyl]benzenecarboximidamide
PubChem CID142127726
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-amino-N'-methyl-N-[(2-sulfamoylphenyl)methyl]benzenecarboximidamide
SMILESC/N=C(/NCc1ccccc1S(N)(=O)=O)c1ccccc1N
InChIInChI=1S/C15H18N4O2S/c1-18-15(12-7-3-4-8-13(12)16)19-10-11-6-2-5-9-14(11)22(17,20)21/h2-9H,10,16H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyFTEZPDHGYICSKU-UHFFFAOYSA-N
XLogP1.08
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(2-aminophenyl)methyl]-N'-methylbenzenecarboximidamide
CID 142127836
2-amino-N-[(2-hydroxyphenyl)methyl]-N'-methylbenzenecarboximidamide;2,4-difluoro-6-propylaniline;ethane
CID 142126217
2-amino-N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]benzamide;dihydrochloride
CID 119947260
2-(4-methylphenyl)-N-[(2-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 167874087
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111359573
2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride
CID 119946480
2-[2-(2-sulfamoylphenyl)acetyl]benzoic acid
CID 152904860
1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]-1,2-dimethylguanidine
CID 110951840
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 110914553
2-(2-amino-3-methoxypropyl)benzenesulfonamide
CID 63197223
2-(2-bromobutyl)benzenesulfonamide
CID 63203633
2-ethylaniline;sulfuric acid
CID 67820112

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-methyl-N-[(2-sulfamoylphenyl)methyl]benzenecarboximidamide?
The IUPAC name of 2-amino-N'-methyl-N-[(2-sulfamoylphenyl)methyl]benzenecarboximidamide (CID 142127726) is 2-amino-N'-methyl-N-[(2-sulfamoylphenyl)methyl]benzenecarboximidamide.
What is the SMILES notation for 2-amino-N'-methyl-N-[(2-sulfamoylphenyl)methyl]benzenecarboximidamide?
The canonical SMILES for 2-amino-N'-methyl-N-[(2-sulfamoylphenyl)methyl]benzenecarboximidamide is C/N=C(/NCc1ccccc1S(N)(=O)=O)c1ccccc1N.
What is the InChIKey of 2-amino-N'-methyl-N-[(2-sulfamoylphenyl)methyl]benzenecarboximidamide?
The InChIKey is FTEZPDHGYICSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-18-15(12-7-3-4-8-13(12)16)19-10-11-6-2-5-9-14(11)22(17,20)21/h2-9H,10,16H2,1H3,(H,18,19)(H2,17,20,21).
What are the key properties of 2-amino-N'-methyl-N-[(2-sulfamoylphenyl)methyl]benzenecarboximidamide?
2-amino-N'-methyl-N-[(2-sulfamoylphenyl)methyl]benzenecarboximidamide has a molecular weight of 318.40 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-methyl-N-[(2-sulfamoylphenyl)methyl]benzenecarboximidamide is sourced from PubChem (CID 142127726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).