3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide

C9H13ClN4O3S — CID 114003616

IUPAC3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
SMILESCN(C)S(=O)(=O)Nc1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C9H13ClN4O3S/c1-14(2)18(16,17)13-8-4-3-6(5-7(8)10)9(11)12-15/h3-5,13,15H,1-2H3,(H2,11,12)
InChIKeyNAZCNVNJCXBFKP-UHFFFAOYSA-N
MW292.75 g/mol
LogP0.65
Rot. Bonds4

About 3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide

3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide (PubChem CID 114003616) has the molecular formula C9H13ClN4O3S and a molecular weight of 292.75 g/mol. Its IUPAC name is 3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
PubChem CID114003616
Molecular FormulaC9H13ClN4O3S
Molecular Weight292.75 g/mol
Exact Mass292.04
IUPAC Name3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
SMILESCN(C)S(=O)(=O)Nc1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C9H13ClN4O3S/c1-14(2)18(16,17)13-8-4-3-6(5-7(8)10)9(11)12-15/h3-5,13,15H,1-2H3,(H2,11,12)
InChIKeyNAZCNVNJCXBFKP-UHFFFAOYSA-N
XLogP0.65
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 50.65
H-Bond Donors ≤ 53
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-(dimethylsulfamoylamino)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 104849976
3-chloro-N'-hydroxy-4-(propan-2-ylsulfamoylamino)benzenecarboximidamide
CID 107810012
3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 107810036
3-chloro-N'-hydroxy-4-(3-methoxypropylsulfonylamino)benzenecarboximidamide
CID 107810010
3-chloro-N'-hydroxy-4-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzenecarboximidamide
CID 107810033
N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylbenzamide
CID 107809857
4-acetyl-1-chloro-2-(dimethylsulfamoylamino)benzene
CID 18615256
3-chloro-N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 107809864
2-chloro-1-(dimethylsulfamoylamino)-4-nitrobenzene
CID 3515544
N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylpentanamide
CID 107809853
N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanamide
CID 107809829
3-chloro-4-[(dimethylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666795

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide (CID 114003616) is 3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide is CN(C)S(=O)(=O)Nc1ccc(/C(N)=N/O)cc1Cl.
What is the InChIKey of 3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide?
The InChIKey is NAZCNVNJCXBFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O3S/c1-14(2)18(16,17)13-8-4-3-6(5-7(8)10)9(11)12-15/h3-5,13,15H,1-2H3,(H2,11,12).
What are the key properties of 3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide?
3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide has a molecular weight of 292.75 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114003616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).