3-chloro-N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide

C11H12ClN5O3S — CID 107810033

IUPAC3-chloro-N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc(/C(N)=N/O)cc2Cl)[nH]1
InChIInChI=1S/C11H12ClN5O3S/c1-6-14-5-10(15-6)21(19,20)17-9-3-2-7(4-8(9)12)11(13)16-18/h2-5,17-18H,1H3,(H2,13,16)(H,14,15)
InChIKeyPILDGIFWFJUBNQ-UHFFFAOYSA-N
MW329.77 g/mol
LogP1.27
Rot. Bonds4

About 3-chloro-N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide

3-chloro-N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide (PubChem CID 107810033) has the molecular formula C11H12ClN5O3S and a molecular weight of 329.77 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide
PubChem CID107810033
Molecular FormulaC11H12ClN5O3S
Molecular Weight329.77 g/mol
Exact Mass329.03
IUPAC Name3-chloro-N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc(/C(N)=N/O)cc2Cl)[nH]1
InChIInChI=1S/C11H12ClN5O3S/c1-6-14-5-10(15-6)21(19,20)17-9-3-2-7(4-8(9)12)11(13)16-18/h2-5,17-18H,1H3,(H2,13,16)(H,14,15)
InChIKeyPILDGIFWFJUBNQ-UHFFFAOYSA-N
XLogP1.27
TPSA133.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 51.27
H-Bond Donors ≤ 54
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-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide
CID 77021130
3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
CID 114003616
N-(4-chloro-2-iodophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 113257304
3-chloro-N'-hydroxy-4-(propan-2-ylsulfamoylamino)benzenecarboximidamide
CID 107810012
2-chloro-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzamide
CID 63000377
N-(5-chloro-2-methylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62997807
N'-hydroxy-4-[methyl-[(2-methyl-1H-imidazol-5-yl)sulfonyl]amino]benzenecarboximidamide
CID 77021181
N-(3-chloro-4-hydroxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 64786558
N'-hydroxy-3-methoxy-4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
CID 102693886
3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 107810036
3-chloro-N'-hydroxy-4-(3-methoxypropylsulfonylamino)benzenecarboximidamide
CID 107810010
3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 77021138

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide (CID 107810033) is 3-chloro-N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide is Cc1ncc(S(=O)(=O)Nc2ccc(/C(N)=N/O)cc2Cl)[nH]1.
What is the InChIKey of 3-chloro-N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide?
The InChIKey is PILDGIFWFJUBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O3S/c1-6-14-5-10(15-6)21(19,20)17-9-3-2-7(4-8(9)12)11(13)16-18/h2-5,17-18H,1H3,(H2,13,16)(H,14,15).
What are the key properties of 3-chloro-N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide?
3-chloro-N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide has a molecular weight of 329.77 g/mol, XLogP of 1.27, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide is sourced from PubChem (CID 107810033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).