3-chloro-N'-hydroxy-4-(3-methoxypropylsulfonylamino)benzenecarboximidamide

C11H16ClN3O4S — CID 107810010

IUPAC3-chloro-N'-hydroxy-4-(3-methoxypropylsulfonylamino)benzenecarboximidamide
SMILESCOCCCS(=O)(=O)Nc1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C11H16ClN3O4S/c1-19-5-2-6-20(17,18)15-10-4-3-8(7-9(10)12)11(13)14-16/h3-4,7,15-16H,2,5-6H2,1H3,(H2,13,14)
InChIKeyKIDJXAXJZSEKSW-UHFFFAOYSA-N
MW321.79 g/mol
LogP1.21
Rot. Bonds7

About 3-chloro-N'-hydroxy-4-(3-methoxypropylsulfonylamino)benzenecarboximidamide

3-chloro-N'-hydroxy-4-(3-methoxypropylsulfonylamino)benzenecarboximidamide (PubChem CID 107810010) has the molecular formula C11H16ClN3O4S and a molecular weight of 321.79 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-4-(3-methoxypropylsulfonylamino)benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-4-(3-methoxypropylsulfonylamino)benzenecarboximidamide
PubChem CID107810010
Molecular FormulaC11H16ClN3O4S
Molecular Weight321.79 g/mol
Exact Mass321.06
IUPAC Name3-chloro-N'-hydroxy-4-(3-methoxypropylsulfonylamino)benzenecarboximidamide
SMILESCOCCCS(=O)(=O)Nc1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C11H16ClN3O4S/c1-19-5-2-6-20(17,18)15-10-4-3-8(7-9(10)12)11(13)14-16/h3-4,7,15-16H,2,5-6H2,1H3,(H2,13,14)
InChIKeyKIDJXAXJZSEKSW-UHFFFAOYSA-N
XLogP1.21
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-methoxypropylsulfonylamino)-4-methylbenzenecarboximidamide
CID 76994146
3-chloro-4-(3-methoxypropylsulfonylamino)benzenesulfonamide
CID 63290463
3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
CID 114003616
3-chloro-N'-hydroxy-4-(propan-2-ylsulfamoylamino)benzenecarboximidamide
CID 107810012
4-chloro-3-(2-methoxyethylsulfonylamino)benzoic acid
CID 55010075
4-fluoro-3-(3-methoxypropylsulfonylamino)benzoic acid
CID 63290128
3-(2,2-dimethylpropylsulfonylamino)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 77045066
3-chloro-4-(2-methylsulfonylethylsulfonylamino)benzenecarbothioamide
CID 107808692
3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 107810036
3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177820
5-chloro-2-methoxy-4-(3-methoxypropylsulfonylamino)benzoic acid
CID 63290355
3-chloro-4-(2,2-dimethylpropylsulfonylamino)benzenecarbothioamide
CID 107808760

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-4-(3-methoxypropylsulfonylamino)benzenecarboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-4-(3-methoxypropylsulfonylamino)benzenecarboximidamide (CID 107810010) is 3-chloro-N'-hydroxy-4-(3-methoxypropylsulfonylamino)benzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-4-(3-methoxypropylsulfonylamino)benzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-4-(3-methoxypropylsulfonylamino)benzenecarboximidamide is COCCCS(=O)(=O)Nc1ccc(/C(N)=N/O)cc1Cl.
What is the InChIKey of 3-chloro-N'-hydroxy-4-(3-methoxypropylsulfonylamino)benzenecarboximidamide?
The InChIKey is KIDJXAXJZSEKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O4S/c1-19-5-2-6-20(17,18)15-10-4-3-8(7-9(10)12)11(13)14-16/h3-4,7,15-16H,2,5-6H2,1H3,(H2,13,14).
What are the key properties of 3-chloro-N'-hydroxy-4-(3-methoxypropylsulfonylamino)benzenecarboximidamide?
3-chloro-N'-hydroxy-4-(3-methoxypropylsulfonylamino)benzenecarboximidamide has a molecular weight of 321.79 g/mol, XLogP of 1.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-4-(3-methoxypropylsulfonylamino)benzenecarboximidamide is sourced from PubChem (CID 107810010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).