N-hydroxy-2-(2-phenylethylsulfonyl)cyclohexane-1-carboxamide

C15H21NO4S — CID 72656563

IUPACN-hydroxy-2-(2-phenylethylsulfonyl)cyclohexane-1-carboxamide
SMILESO=C(NO)C1CCCCC1S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H21NO4S/c17-15(16-18)13-8-4-5-9-14(13)21(19,20)11-10-12-6-2-1-3-7-12/h1-3,6-7,13-14,18H,4-5,8-11H2,(H,16,17)
InChIKeyZHPYMNKKCCXESP-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.71
Rot. Bonds5

About N-hydroxy-2-(2-phenylethylsulfonyl)cyclohexane-1-carboxamide

N-hydroxy-2-(2-phenylethylsulfonyl)cyclohexane-1-carboxamide (PubChem CID 72656563) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is N-hydroxy-2-(2-phenylethylsulfonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(2-phenylethylsulfonyl)cyclohexane-1-carboxamide
PubChem CID72656563
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-hydroxy-2-(2-phenylethylsulfonyl)cyclohexane-1-carboxamide
SMILESO=C(NO)C1CCCCC1S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H21NO4S/c17-15(16-18)13-8-4-5-9-14(13)21(19,20)11-10-12-6-2-1-3-7-12/h1-3,6-7,13-14,18H,4-5,8-11H2,(H,16,17)
InChIKeyZHPYMNKKCCXESP-UHFFFAOYSA-N
XLogP1.71
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-phenylethylsulfonyl)cyclohexane-1-carboxylic acid
CID 72656562
cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 13313986
trans-(1R,2R)-2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 795950
cis-(1R,2S)-2-benzylsulfonylcyclohexan-1-ol
CID 6922943
cis-(1R,2S)-2-methyl-N-(2-phenylethylsulfonyl)cyclopropane-1-carboxamide
CID 95329971
cis-(1R,2S)-2-(4-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 7034638
trans-(1S,2S)-2-(3-phenylpropylcarbamoyl)cyclohexane-1-carboxylate
CID 2165135
2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride
CID 119974202
1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137355
N-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide
CID 106136203
2-(benzylsulfonylamino)cyclohexane-1-carboxylic acid
CID 64816835
2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid
CID 66167720

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(2-phenylethylsulfonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-hydroxy-2-(2-phenylethylsulfonyl)cyclohexane-1-carboxamide (CID 72656563) is N-hydroxy-2-(2-phenylethylsulfonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-hydroxy-2-(2-phenylethylsulfonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-hydroxy-2-(2-phenylethylsulfonyl)cyclohexane-1-carboxamide is O=C(NO)C1CCCCC1S(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-hydroxy-2-(2-phenylethylsulfonyl)cyclohexane-1-carboxamide?
The InChIKey is ZHPYMNKKCCXESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c17-15(16-18)13-8-4-5-9-14(13)21(19,20)11-10-12-6-2-1-3-7-12/h1-3,6-7,13-14,18H,4-5,8-11H2,(H,16,17).
What are the key properties of N-hydroxy-2-(2-phenylethylsulfonyl)cyclohexane-1-carboxamide?
N-hydroxy-2-(2-phenylethylsulfonyl)cyclohexane-1-carboxamide has a molecular weight of 311.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(2-phenylethylsulfonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 72656563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).