3-[(4-methoxyphenyl)methylsulfamoyl]benzenecarboximidamide;hydrochloride

C15H18ClN3O3S — CID 71456775

IUPAC3-[(4-methoxyphenyl)methylsulfamoyl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc(S(=O)(=O)NCc2ccc(OC)cc2)c1
InChIInChI=1S/C15H17N3O3S.ClH/c1-21-13-7-5-11(6-8-13)10-18-22(19,20)14-4-2-3-12(9-14)15(16)17;/h2-9,18H,10H2,1H3,(H3,16,17);1H
InChIKeyLJLLNPDSBTUNBM-UHFFFAOYSA-N
MW355.85 g/mol
LogP1.88
Rot. Bonds6

About 3-[(4-methoxyphenyl)methylsulfamoyl]benzenecarboximidamide;hydrochloride

3-[(4-methoxyphenyl)methylsulfamoyl]benzenecarboximidamide;hydrochloride (PubChem CID 71456775) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methylsulfamoyl]benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methylsulfamoyl]benzenecarboximidamide;hydrochloride
PubChem CID71456775
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Name3-[(4-methoxyphenyl)methylsulfamoyl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc(S(=O)(=O)NCc2ccc(OC)cc2)c1
InChIInChI=1S/C15H17N3O3S.ClH/c1-21-13-7-5-11(6-8-13)10-18-22(19,20)14-4-2-3-12(9-14)15(16)17;/h2-9,18H,10H2,1H3,(H3,16,17);1H
InChIKeyLJLLNPDSBTUNBM-UHFFFAOYSA-N
XLogP1.88
TPSA105.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 51.88
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-[[4-[5-[4-[[(3-carbamimidoylphenyl)sulfonylamino]methyl]phenoxy]pentoxy]anilino]methylsulfonyl]benzenecarboximidamide
CID 56603750
3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide
CID 71454986
4-[(3-carbamimidoylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 71462164
4-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 27186990
3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide
CID 31109957
3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide
CID 110780917
N-[(4-carbamimidoylphenyl)methyl]-3-[(3-carbamimidoylphenyl)sulfonylamino]propanamide;bis(2,2,2-trifluoroacetic acid)
CID 71477981
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide
CID 46696278
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
3-(phenylsulfamoyl)benzenecarboximidamide
CID 71451445

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methylsulfamoyl]benzenecarboximidamide;hydrochloride?
The IUPAC name of 3-[(4-methoxyphenyl)methylsulfamoyl]benzenecarboximidamide;hydrochloride (CID 71456775) is 3-[(4-methoxyphenyl)methylsulfamoyl]benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 3-[(4-methoxyphenyl)methylsulfamoyl]benzenecarboximidamide;hydrochloride?
The canonical SMILES for 3-[(4-methoxyphenyl)methylsulfamoyl]benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cccc(S(=O)(=O)NCc2ccc(OC)cc2)c1.
What is the InChIKey of 3-[(4-methoxyphenyl)methylsulfamoyl]benzenecarboximidamide;hydrochloride?
The InChIKey is LJLLNPDSBTUNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S.ClH/c1-21-13-7-5-11(6-8-13)10-18-22(19,20)14-4-2-3-12(9-14)15(16)17;/h2-9,18H,10H2,1H3,(H3,16,17);1H.
What are the key properties of 3-[(4-methoxyphenyl)methylsulfamoyl]benzenecarboximidamide;hydrochloride?
3-[(4-methoxyphenyl)methylsulfamoyl]benzenecarboximidamide;hydrochloride has a molecular weight of 355.85 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methylsulfamoyl]benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 71456775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).