N'-hydroxy-3-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzenecarboximidamide

C12H20N4O4S — CID 107469795

IUPACN'-hydroxy-3-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzenecarboximidamide
SMILESCOc1cccc(/C(N)=N/O)c1NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C12H20N4O4S/c1-8(2)16(3)21(18,19)15-11-9(12(13)14-17)6-5-7-10(11)20-4/h5-8,15,17H,1-4H3,(H2,13,14)
InChIKeyDFEIKOZPWDGEKR-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.79
Rot. Bonds6

About N'-hydroxy-3-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzenecarboximidamide

N'-hydroxy-3-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzenecarboximidamide (PubChem CID 107469795) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is N'-hydroxy-3-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzenecarboximidamide
PubChem CID107469795
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC NameN'-hydroxy-3-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzenecarboximidamide
SMILESCOc1cccc(/C(N)=N/O)c1NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C12H20N4O4S/c1-8(2)16(3)21(18,19)15-11-9(12(13)14-17)6-5-7-10(11)20-4/h5-8,15,17H,1-4H3,(H2,13,14)
InChIKeyDFEIKOZPWDGEKR-UHFFFAOYSA-N
XLogP0.79
TPSA117.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-3-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)benzenecarboximidamide
CID 107469796
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-6-methoxyphenyl]furan-3-carboxamide
CID 107469648
3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid
CID 61455802
1-[2-[(Z)-N'-hydroxycarbamimidoyl]-6-methoxyphenyl]-3-(2,2,2-trifluoroethyl)urea
CID 107469760
5-chloro-N-[2-[(Z)-N'-hydroxycarbamimidoyl]-6-methoxyphenyl]furan-2-carboxamide
CID 107469649
3-methoxy-2-(propan-2-ylsulfamoylamino)benzenecarboximidamide
CID 107469971
3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarbothioamide
CID 107468665
2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200034
4-(dimethylsulfamoylamino)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 104849976
3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarboximidamide
CID 107469929
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,3-dimethoxy-N-methylbenzamide
CID 76928376
methyl N-[[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-methylsulfamoyl]carbamate
CID 114465981

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzenecarboximidamide (CID 107469795) is N'-hydroxy-3-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzenecarboximidamide is COc1cccc(/C(N)=N/O)c1NS(=O)(=O)N(C)C(C)C.
What is the InChIKey of N'-hydroxy-3-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzenecarboximidamide?
The InChIKey is DFEIKOZPWDGEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-8(2)16(3)21(18,19)15-11-9(12(13)14-17)6-5-7-10(11)20-4/h5-8,15,17H,1-4H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzenecarboximidamide?
N'-hydroxy-3-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzenecarboximidamide has a molecular weight of 316.38 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzenecarboximidamide is sourced from PubChem (CID 107469795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).