N'-(4-sulfamoylphenyl)benzenecarboximidamide

C13H13N3O2S — CID 55159197

IUPACN'-(4-sulfamoylphenyl)benzenecarboximidamide
SMILESN/C(=N\c1ccc(S(N)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C13H13N3O2S/c14-13(10-4-2-1-3-5-10)16-11-6-8-12(9-7-11)19(15,17)18/h1-9H,(H2,14,16)(H2,15,17,18)
InChIKeySHTXTMSKXGJZFZ-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.37
Rot. Bonds3

About N'-(4-sulfamoylphenyl)benzenecarboximidamide

N'-(4-sulfamoylphenyl)benzenecarboximidamide (PubChem CID 55159197) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N'-(4-sulfamoylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-sulfamoylphenyl)benzenecarboximidamide
PubChem CID55159197
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN'-(4-sulfamoylphenyl)benzenecarboximidamide
SMILESN/C(=N\c1ccc(S(N)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C13H13N3O2S/c14-13(10-4-2-1-3-5-10)16-11-6-8-12(9-7-11)19(15,17)18/h1-9H,(H2,14,16)(H2,15,17,18)
InChIKeySHTXTMSKXGJZFZ-UHFFFAOYSA-N
XLogP1.37
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride
CID 131872163
4-benzoylbenzenesulfonamide
CID 70209200
4-aminobenzenesulfonamide;2-(4-sulfamoylphenyl)guanidine
CID 69140999
N'-hydroxy-4-sulfamoylbenzenecarboximidamide;hydrochloride
CID 24834739
N'-aminobenzenecarboximidamide
CID 5474957
N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide
CID 132564984
benzenesulfonamide;methanol
CID 23223292
4-[[(E)-1-hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]diazenyl]benzenesulfonamide
CID 135841430
N'-[4-(difluoromethylsulfanyl)phenyl]benzenecarboximidamide
CID 63176206
4-[[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 10715538
benzenesulfonamide;boric acid
CID 160795607
disodium;benzenesulfonamide;hydride
CID 174402178

Frequently Asked Questions

What is the IUPAC name of N'-(4-sulfamoylphenyl)benzenecarboximidamide?
The IUPAC name of N'-(4-sulfamoylphenyl)benzenecarboximidamide (CID 55159197) is N'-(4-sulfamoylphenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(4-sulfamoylphenyl)benzenecarboximidamide?
The canonical SMILES for N'-(4-sulfamoylphenyl)benzenecarboximidamide is N/C(=N\c1ccc(S(N)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of N'-(4-sulfamoylphenyl)benzenecarboximidamide?
The InChIKey is SHTXTMSKXGJZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c14-13(10-4-2-1-3-5-10)16-11-6-8-12(9-7-11)19(15,17)18/h1-9H,(H2,14,16)(H2,15,17,18).
What are the key properties of N'-(4-sulfamoylphenyl)benzenecarboximidamide?
N'-(4-sulfamoylphenyl)benzenecarboximidamide has a molecular weight of 275.33 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-sulfamoylphenyl)benzenecarboximidamide is sourced from PubChem (CID 55159197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).