4-[cyclohexylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide

C14H21N3O3S — CID 76979353

IUPAC4-[cyclohexylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCN(c1ccc(C(N)=NO)cc1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H21N3O3S/c1-17(21(19,20)13-5-3-2-4-6-13)12-9-7-11(8-10-12)14(15)16-18/h7-10,13,18H,2-6H2,1H3,(H2,15,16)
InChIKeyWRLJWQQNIRLMAC-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.88
Rot. Bonds4

About 4-[cyclohexylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide

4-[cyclohexylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 76979353) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-[cyclohexylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[cyclohexylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID76979353
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name4-[cyclohexylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCN(c1ccc(C(N)=NO)cc1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H21N3O3S/c1-17(21(19,20)13-5-3-2-4-6-13)12-9-7-11(8-10-12)14(15)16-18/h7-10,13,18H,2-6H2,1H3,(H2,15,16)
InChIKeyWRLJWQQNIRLMAC-UHFFFAOYSA-N
XLogP1.88
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
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 4-[cyclohexylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[cyclohexylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide (CID 76979353) is 4-[cyclohexylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[cyclohexylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[cyclohexylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide is CN(c1ccc(C(N)=NO)cc1)S(=O)(=O)C1CCCCC1.
What is the InChIKey of 4-[cyclohexylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is WRLJWQQNIRLMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-17(21(19,20)13-5-3-2-4-6-13)12-9-7-11(8-10-12)14(15)16-18/h7-10,13,18H,2-6H2,1H3,(H2,15,16).
What are the key properties of 4-[cyclohexylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
4-[cyclohexylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 311.41 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76979353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).