4-(dimethylsulfamoylamino)-N'-hydroxy-3-methoxybenzenecarboximidamide

C10H16N4O4S — CID 104849976

IUPAC4-(dimethylsulfamoylamino)-N'-hydroxy-3-methoxybenzenecarboximidamide
SMILESCOc1cc(/C(N)=N/O)ccc1NS(=O)(=O)N(C)C
InChIInChI=1S/C10H16N4O4S/c1-14(2)19(16,17)13-8-5-4-7(10(11)12-15)6-9(8)18-3/h4-6,13,15H,1-3H3,(H2,11,12)
InChIKeyWZYSZRDHVSBRKJ-UHFFFAOYSA-N
MW288.33 g/mol
LogP0.01
Rot. Bonds5

About 4-(dimethylsulfamoylamino)-N'-hydroxy-3-methoxybenzenecarboximidamide

4-(dimethylsulfamoylamino)-N'-hydroxy-3-methoxybenzenecarboximidamide (PubChem CID 104849976) has the molecular formula C10H16N4O4S and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-(dimethylsulfamoylamino)-N'-hydroxy-3-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(dimethylsulfamoylamino)-N'-hydroxy-3-methoxybenzenecarboximidamide
PubChem CID104849976
Molecular FormulaC10H16N4O4S
Molecular Weight288.33 g/mol
Exact Mass288.09
IUPAC Name4-(dimethylsulfamoylamino)-N'-hydroxy-3-methoxybenzenecarboximidamide
SMILESCOc1cc(/C(N)=N/O)ccc1NS(=O)(=O)N(C)C
InChIInChI=1S/C10H16N4O4S/c1-14(2)19(16,17)13-8-5-4-7(10(11)12-15)6-9(8)18-3/h4-6,13,15H,1-3H3,(H2,11,12)
InChIKeyWZYSZRDHVSBRKJ-UHFFFAOYSA-N
XLogP0.01
TPSA117.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.01
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

4-(dimethylsulfamoylamino)-3-methoxybenzenecarbothioamide
CID 104849481
3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
CID 114003616
N'-hydroxy-3-methoxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
CID 102693886
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-2-methylpropanamide
CID 113460435
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-2-methoxyacetamide
CID 104849887
4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 61058058
2-bromo-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-3-carboxamide
CID 106855807
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-2-methylcyclopentane-1-carboxamide
CID 107182858
5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-2-carboxamide
CID 106689373
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104849872
4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 74312872
4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 6014558

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoylamino)-N'-hydroxy-3-methoxybenzenecarboximidamide?
The IUPAC name of 4-(dimethylsulfamoylamino)-N'-hydroxy-3-methoxybenzenecarboximidamide (CID 104849976) is 4-(dimethylsulfamoylamino)-N'-hydroxy-3-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-(dimethylsulfamoylamino)-N'-hydroxy-3-methoxybenzenecarboximidamide?
The canonical SMILES for 4-(dimethylsulfamoylamino)-N'-hydroxy-3-methoxybenzenecarboximidamide is COc1cc(/C(N)=N/O)ccc1NS(=O)(=O)N(C)C.
What is the InChIKey of 4-(dimethylsulfamoylamino)-N'-hydroxy-3-methoxybenzenecarboximidamide?
The InChIKey is WZYSZRDHVSBRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S/c1-14(2)19(16,17)13-8-5-4-7(10(11)12-15)6-9(8)18-3/h4-6,13,15H,1-3H3,(H2,11,12).
What are the key properties of 4-(dimethylsulfamoylamino)-N'-hydroxy-3-methoxybenzenecarboximidamide?
4-(dimethylsulfamoylamino)-N'-hydroxy-3-methoxybenzenecarboximidamide has a molecular weight of 288.33 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoylamino)-N'-hydroxy-3-methoxybenzenecarboximidamide is sourced from PubChem (CID 104849976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).