N'-hydroxy-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboximidamide

C14H21N3O3S — CID 77077380

IUPACN'-hydroxy-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboximidamide
SMILESCc1ccccc1S(=O)(=O)NC1(C(N)=NO)CCCCC1
InChIInChI=1S/C14H21N3O3S/c1-11-7-3-4-8-12(11)21(19,20)17-14(13(15)16-18)9-5-2-6-10-14/h3-4,7-8,17-18H,2,5-6,9-10H2,1H3,(H2,15,16)
InChIKeyBGXBEPDQLXHQBA-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.72
Rot. Bonds4

About N'-hydroxy-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboximidamide

N'-hydroxy-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboximidamide (PubChem CID 77077380) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N'-hydroxy-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboximidamide
PubChem CID77077380
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN'-hydroxy-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboximidamide
SMILESCc1ccccc1S(=O)(=O)NC1(C(N)=NO)CCCCC1
InChIInChI=1S/C14H21N3O3S/c1-11-7-3-4-8-12(11)21(19,20)17-14(13(15)16-18)9-5-2-6-10-14/h3-4,7-8,17-18H,2,5-6,9-10H2,1H3,(H2,15,16)
InChIKeyBGXBEPDQLXHQBA-UHFFFAOYSA-N
XLogP1.72
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.72
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboximidamide (CID 77077380) is N'-hydroxy-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboximidamide is Cc1ccccc1S(=O)(=O)NC1(C(N)=NO)CCCCC1.
What is the InChIKey of N'-hydroxy-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboximidamide?
The InChIKey is BGXBEPDQLXHQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-11-7-3-4-8-12(11)21(19,20)17-14(13(15)16-18)9-5-2-6-10-14/h3-4,7-8,17-18H,2,5-6,9-10H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboximidamide?
N'-hydroxy-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboximidamide has a molecular weight of 311.41 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboximidamide is sourced from PubChem (CID 77077380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).