N'-hydroxy-4-[(2-methylphenyl)sulfamoyl]benzenecarboximidamide

C14H15N3O3S — CID 89392454

IUPACN'-hydroxy-4-[(2-methylphenyl)sulfamoyl]benzenecarboximidamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C14H15N3O3S/c1-10-4-2-3-5-13(10)17-21(19,20)12-8-6-11(7-9-12)14(15)16-18/h2-9,17-18H,1H3,(H2,15,16)
InChIKeyMKUJVPYETOWXAA-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.89
Rot. Bonds4

About N'-hydroxy-4-[(2-methylphenyl)sulfamoyl]benzenecarboximidamide

N'-hydroxy-4-[(2-methylphenyl)sulfamoyl]benzenecarboximidamide (PubChem CID 89392454) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N'-hydroxy-4-[(2-methylphenyl)sulfamoyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(2-methylphenyl)sulfamoyl]benzenecarboximidamide
PubChem CID89392454
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN'-hydroxy-4-[(2-methylphenyl)sulfamoyl]benzenecarboximidamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C14H15N3O3S/c1-10-4-2-3-5-13(10)17-21(19,20)12-8-6-11(7-9-12)14(15)16-18/h2-9,17-18H,1H3,(H2,15,16)
InChIKeyMKUJVPYETOWXAA-UHFFFAOYSA-N
XLogP1.89
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.89
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide
CID 89392412
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
N'-hydroxy-4-(methylsulfamoyl)benzenecarboximidamide
CID 87540671
9-hydroxyimino-2-N,7-N-bis(2-methylphenyl)fluorene-2,7-disulfonamide
CID 1159157
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 5024533
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 27187010
4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
CID 119376026
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
2-[2-[4-[(2-methylphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 9305972
1-[4-[(2-methylphenyl)sulfamoyl]phenyl]-3-(4-sulfamoylphenyl)thiourea
CID 19678782
1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide
CID 18159138

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(2-methylphenyl)sulfamoyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[(2-methylphenyl)sulfamoyl]benzenecarboximidamide (CID 89392454) is N'-hydroxy-4-[(2-methylphenyl)sulfamoyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(2-methylphenyl)sulfamoyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[(2-methylphenyl)sulfamoyl]benzenecarboximidamide is Cc1ccccc1NS(=O)(=O)c1ccc(/C(N)=N/O)cc1.
What is the InChIKey of N'-hydroxy-4-[(2-methylphenyl)sulfamoyl]benzenecarboximidamide?
The InChIKey is MKUJVPYETOWXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-10-4-2-3-5-13(10)17-21(19,20)12-8-6-11(7-9-12)14(15)16-18/h2-9,17-18H,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-4-[(2-methylphenyl)sulfamoyl]benzenecarboximidamide?
N'-hydroxy-4-[(2-methylphenyl)sulfamoyl]benzenecarboximidamide has a molecular weight of 305.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(2-methylphenyl)sulfamoyl]benzenecarboximidamide is sourced from PubChem (CID 89392454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).