4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide

C10H15ClN4O4S — CID 114816595

IUPAC4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide
SMILESCOCCNS(=O)(=O)Nc1cc(Cl)ccc1/C(N)=N/O
InChIInChI=1S/C10H15ClN4O4S/c1-19-5-4-13-20(17,18)15-9-6-7(11)2-3-8(9)10(12)14-16/h2-3,6,13,15-16H,4-5H2,1H3,(H2,12,14)
InChIKeyDKFWOZVBUJCKFR-UHFFFAOYSA-N
MW322.77 g/mol
LogP0.33
Rot. Bonds7

About 4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide

4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide (PubChem CID 114816595) has the molecular formula C10H15ClN4O4S and a molecular weight of 322.77 g/mol. Its IUPAC name is 4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide
PubChem CID114816595
Molecular FormulaC10H15ClN4O4S
Molecular Weight322.77 g/mol
Exact Mass322.05
IUPAC Name4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide
SMILESCOCCNS(=O)(=O)Nc1cc(Cl)ccc1/C(N)=N/O
InChIInChI=1S/C10H15ClN4O4S/c1-19-5-4-13-20(17,18)15-9-6-7(11)2-3-8(9)10(12)14-16/h2-3,6,13,15-16H,4-5H2,1H3,(H2,12,14)
InChIKeyDKFWOZVBUJCKFR-UHFFFAOYSA-N
XLogP0.33
TPSA126.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 50.33
H-Bond Donors ≤ 54
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

4-chloro-2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide
CID 114815307
4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)benzenecarboximidamide
CID 114812357
4-chloro-N'-hydroxy-2-(sulfamoylamino)benzenecarboximidamide
CID 114959569
2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide
CID 114816573
4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
CID 114812354
4-chloro-2-(cyclopropylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 77050486
4-chloro-2-(difluoromethylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 77050392
4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814171
3-[5-chloro-2-(2-methoxyethylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114816474
4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 105361632
3-fluoro-N'-hydroxy-4-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide
CID 114816593
2-(2-methoxyethylsulfamoylamino)benzenecarbothioamide
CID 114815185

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide?
The IUPAC name of 4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide (CID 114816595) is 4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide is COCCNS(=O)(=O)Nc1cc(Cl)ccc1/C(N)=N/O.
What is the InChIKey of 4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide?
The InChIKey is DKFWOZVBUJCKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O4S/c1-19-5-4-13-20(17,18)15-9-6-7(11)2-3-8(9)10(12)14-16/h2-3,6,13,15-16H,4-5H2,1H3,(H2,12,14).
What are the key properties of 4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide?
4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide has a molecular weight of 322.77 g/mol, XLogP of 0.33, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide is sourced from PubChem (CID 114816595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).