3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide

C14H15N3O3S — CID 71454986

IUPAC3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(S(=O)(=O)Nc2cccc(OC)c2)c1
InChIInChI=1S/C14H15N3O3S/c1-20-12-6-3-5-11(9-12)17-21(18,19)13-7-2-4-10(8-13)14(15)16/h2-9,17H,1H3,(H3,15,16)
InChIKeySQRJPKBFIYGJFV-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.78
Rot. Bonds5

About 3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide

3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide (PubChem CID 71454986) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide
PubChem CID71454986
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(S(=O)(=O)Nc2cccc(OC)c2)c1
InChIInChI=1S/C14H15N3O3S/c1-20-12-6-3-5-11(9-12)17-21(18,19)13-7-2-4-10(8-13)14(15)16/h2-9,17H,1H3,(H3,15,16)
InChIKeySQRJPKBFIYGJFV-UHFFFAOYSA-N
XLogP1.78
TPSA105.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(phenylsulfamoyl)benzenecarboximidamide
CID 71451445
3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062201
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
3-[(4-methoxyphenyl)methylsulfamoyl]benzenecarboximidamide;hydrochloride
CID 71456775
N-cyclopropyl-3-[(3-methoxyphenyl)sulfamoyl]benzamide
CID 109062340
N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27167566
N-cyclohexyl-3-[(3-methoxyphenyl)sulfamoyl]benzamide
CID 109063440
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
methyl 3-[(3,5-dimethoxyphenyl)sulfamoyl]benzoate
CID 31700234
2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide
CID 55043864
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide?
The IUPAC name of 3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide (CID 71454986) is 3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide.
What is the SMILES notation for 3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide?
The canonical SMILES for 3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(S(=O)(=O)Nc2cccc(OC)c2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide?
The InChIKey is SQRJPKBFIYGJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-20-12-6-3-5-11(9-12)17-21(18,19)13-7-2-4-10(8-13)14(15)16/h2-9,17H,1H3,(H3,15,16).
What are the key properties of 3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide?
3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide has a molecular weight of 305.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide is sourced from PubChem (CID 71454986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).