3-(phenylsulfamoyl)benzenecarboximidamide

C13H13N3O2S — CID 71451445

IUPAC3-(phenylsulfamoyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C13H13N3O2S/c14-13(15)10-5-4-8-12(9-10)19(17,18)16-11-6-2-1-3-7-11/h1-9,16H,(H3,14,15)
InChIKeyCLFHDYXCUSXGAN-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.77
Rot. Bonds4

About 3-(phenylsulfamoyl)benzenecarboximidamide

3-(phenylsulfamoyl)benzenecarboximidamide (PubChem CID 71451445) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-(phenylsulfamoyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-(phenylsulfamoyl)benzenecarboximidamide
PubChem CID71451445
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name3-(phenylsulfamoyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C13H13N3O2S/c14-13(15)10-5-4-8-12(9-10)19(17,18)16-11-6-2-1-3-7-11/h1-9,16H,(H3,14,15)
InChIKeyCLFHDYXCUSXGAN-UHFFFAOYSA-N
XLogP1.77
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.77
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'}

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Related Compounds

3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide
CID 71454986
3-(phenylsulfamoyl)benzoyl chloride
CID 22137852
2-[3-(phenylsulfamoyl)phenyl]prop-2-enoic acid
CID 134249060
N,3-diphenylbenzenesulfonamide
CID 54513984
3-(2-phenylethenylsulfonyl)benzenecarboximidamide
CID 57223238
ethyl 3-(phenylsulfamoyl)benzoate
CID 100552593
3-[(3-iodophenyl)sulfamoyl]benzoic acid
CID 25335262
N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 142738657
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
3-[(4-methoxyphenyl)methylsulfamoyl]benzenecarboximidamide;hydrochloride
CID 71456775
3-methylsulfonyl-N-phenylbenzenesulfonamide
CID 6461889
3-[(3-carboxylatophenyl)sulfonylamino]benzoate
CID 4517286

Frequently Asked Questions

What is the IUPAC name of 3-(phenylsulfamoyl)benzenecarboximidamide?
The IUPAC name of 3-(phenylsulfamoyl)benzenecarboximidamide (CID 71451445) is 3-(phenylsulfamoyl)benzenecarboximidamide.
What is the SMILES notation for 3-(phenylsulfamoyl)benzenecarboximidamide?
The canonical SMILES for 3-(phenylsulfamoyl)benzenecarboximidamide is [H]/N=C(\N)c1cccc(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 3-(phenylsulfamoyl)benzenecarboximidamide?
The InChIKey is CLFHDYXCUSXGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c14-13(15)10-5-4-8-12(9-10)19(17,18)16-11-6-2-1-3-7-11/h1-9,16H,(H3,14,15).
What are the key properties of 3-(phenylsulfamoyl)benzenecarboximidamide?
3-(phenylsulfamoyl)benzenecarboximidamide has a molecular weight of 275.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylsulfamoyl)benzenecarboximidamide is sourced from PubChem (CID 71451445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).