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

C7H9ClN4O3S — CID 114959569

IUPAC4-chloro-N'-hydroxy-2-(sulfamoylamino)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)cc1NS(N)(=O)=O
InChIInChI=1S/C7H9ClN4O3S/c8-4-1-2-5(7(9)11-13)6(3-4)12-16(10,14)15/h1-3,12-13H,(H2,9,11)(H2,10,14,15)
InChIKeyUOBWZRMTORRTBY-UHFFFAOYSA-N
MW264.69 g/mol
LogP0.05
Rot. Bonds3

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

4-chloro-N'-hydroxy-2-(sulfamoylamino)benzenecarboximidamide (PubChem CID 114959569) has the molecular formula C7H9ClN4O3S and a molecular weight of 264.69 g/mol. Its IUPAC name is 4-chloro-N'-hydroxy-2-(sulfamoylamino)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-hydroxy-2-(sulfamoylamino)benzenecarboximidamide
PubChem CID114959569
Molecular FormulaC7H9ClN4O3S
Molecular Weight264.69 g/mol
Exact Mass264.01
IUPAC Name4-chloro-N'-hydroxy-2-(sulfamoylamino)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)cc1NS(N)(=O)=O
InChIInChI=1S/C7H9ClN4O3S/c8-4-1-2-5(7(9)11-13)6(3-4)12-16(10,14)15/h1-3,12-13H,(H2,9,11)(H2,10,14,15)
InChIKeyUOBWZRMTORRTBY-UHFFFAOYSA-N
XLogP0.05
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 50.05
H-Bond Donors ≤ 54
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

4-chloro-2-(difluoromethylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 77050392
4-chloro-2-(cyclopropylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 77050486
4-bromo-N'-hydroxy-2-(sulfamoylamino)benzenecarboximidamide
CID 107800975
4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 105361632
4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
CID 114812354
4-chloro-2-[(5-chlorothiophen-2-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 77050384
4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)benzenecarboximidamide
CID 114812357
4-chloro-N'-hydroxy-2-(2-methoxyethylsulfamoylamino)benzenecarboximidamide
CID 114816595
methyl 4-chloro-2-(sulfamoylamino)benzoate
CID 112573367
4-chloro-1-hydroxy-2-(sulfamoylamino)benzene
CID 28895885
N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylsulfonylpropanamide
CID 104521819
4-chloro-1-fluoro-2-(sulfamoylamino)benzene
CID 112573776

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-hydroxy-2-(sulfamoylamino)benzenecarboximidamide?
The IUPAC name of 4-chloro-N'-hydroxy-2-(sulfamoylamino)benzenecarboximidamide (CID 114959569) is 4-chloro-N'-hydroxy-2-(sulfamoylamino)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-hydroxy-2-(sulfamoylamino)benzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-hydroxy-2-(sulfamoylamino)benzenecarboximidamide is N/C(=N/O)c1ccc(Cl)cc1NS(N)(=O)=O.
What is the InChIKey of 4-chloro-N'-hydroxy-2-(sulfamoylamino)benzenecarboximidamide?
The InChIKey is UOBWZRMTORRTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O3S/c8-4-1-2-5(7(9)11-13)6(3-4)12-16(10,14)15/h1-3,12-13H,(H2,9,11)(H2,10,14,15).
What are the key properties of 4-chloro-N'-hydroxy-2-(sulfamoylamino)benzenecarboximidamide?
4-chloro-N'-hydroxy-2-(sulfamoylamino)benzenecarboximidamide has a molecular weight of 264.69 g/mol, XLogP of 0.05, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-hydroxy-2-(sulfamoylamino)benzenecarboximidamide is sourced from PubChem (CID 114959569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).