3-chloro-N'-hydroxy-4-(propan-2-ylsulfamoylamino)benzenecarboximidamide

C10H15ClN4O3S — CID 107810012

IUPAC3-chloro-N'-hydroxy-4-(propan-2-ylsulfamoylamino)benzenecarboximidamide
SMILESCC(C)NS(=O)(=O)Nc1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C10H15ClN4O3S/c1-6(2)14-19(17,18)15-9-4-3-7(5-8(9)11)10(12)13-16/h3-6,14-16H,1-2H3,(H2,12,13)
InChIKeyWBSAXBLFWXNVOO-UHFFFAOYSA-N
MW306.78 g/mol
LogP1.09
Rot. Bonds5

About 3-chloro-N'-hydroxy-4-(propan-2-ylsulfamoylamino)benzenecarboximidamide

3-chloro-N'-hydroxy-4-(propan-2-ylsulfamoylamino)benzenecarboximidamide (PubChem CID 107810012) has the molecular formula C10H15ClN4O3S and a molecular weight of 306.78 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-4-(propan-2-ylsulfamoylamino)benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-4-(propan-2-ylsulfamoylamino)benzenecarboximidamide
PubChem CID107810012
Molecular FormulaC10H15ClN4O3S
Molecular Weight306.78 g/mol
Exact Mass306.06
IUPAC Name3-chloro-N'-hydroxy-4-(propan-2-ylsulfamoylamino)benzenecarboximidamide
SMILESCC(C)NS(=O)(=O)Nc1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C10H15ClN4O3S/c1-6(2)14-19(17,18)15-9-4-3-7(5-8(9)11)10(12)13-16/h3-6,14-16H,1-2H3,(H2,12,13)
InChIKeyWBSAXBLFWXNVOO-UHFFFAOYSA-N
XLogP1.09
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 51.09
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

3-chloro-4-(dimethylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
CID 114003616
3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 107810036
3-chloro-N'-hydroxy-4-(3-methoxypropylsulfonylamino)benzenecarboximidamide
CID 107810010
N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylpentanamide
CID 107809853
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
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide
CID 107809931
2-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,4-diamine
CID 114804165
2-[[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-N-propan-2-ylpropanamide
CID 102667428
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]azepane-1-carboxamide
CID 107809995
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cycloheptanecarboxamide
CID 107809919
N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanamide
CID 107809829

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-4-(propan-2-ylsulfamoylamino)benzenecarboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-4-(propan-2-ylsulfamoylamino)benzenecarboximidamide (CID 107810012) is 3-chloro-N'-hydroxy-4-(propan-2-ylsulfamoylamino)benzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-4-(propan-2-ylsulfamoylamino)benzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-4-(propan-2-ylsulfamoylamino)benzenecarboximidamide is CC(C)NS(=O)(=O)Nc1ccc(/C(N)=N/O)cc1Cl.
What is the InChIKey of 3-chloro-N'-hydroxy-4-(propan-2-ylsulfamoylamino)benzenecarboximidamide?
The InChIKey is WBSAXBLFWXNVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O3S/c1-6(2)14-19(17,18)15-9-4-3-7(5-8(9)11)10(12)13-16/h3-6,14-16H,1-2H3,(H2,12,13).
What are the key properties of 3-chloro-N'-hydroxy-4-(propan-2-ylsulfamoylamino)benzenecarboximidamide?
3-chloro-N'-hydroxy-4-(propan-2-ylsulfamoylamino)benzenecarboximidamide has a molecular weight of 306.78 g/mol, XLogP of 1.09, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-4-(propan-2-ylsulfamoylamino)benzenecarboximidamide is sourced from PubChem (CID 107810012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).