N-hydroxy-6-(4-phenylphenyl)sulfonylcyclohexene-1-carboxamide

C19H19NO4S — CID 10247751

IUPACN-hydroxy-6-(4-phenylphenyl)sulfonylcyclohexene-1-carboxamide
SMILESO=C(NO)C1=CCCCC1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19NO4S/c21-19(20-22)17-8-4-5-9-18(17)25(23,24)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-3,6-8,10-13,18,22H,4-5,9H2,(H,20,21)
InChIKeyGXDHUCIHVMEUQW-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.11
Rot. Bonds4

About N-hydroxy-6-(4-phenylphenyl)sulfonylcyclohexene-1-carboxamide

N-hydroxy-6-(4-phenylphenyl)sulfonylcyclohexene-1-carboxamide (PubChem CID 10247751) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is N-hydroxy-6-(4-phenylphenyl)sulfonylcyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-(4-phenylphenyl)sulfonylcyclohexene-1-carboxamide
PubChem CID10247751
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC NameN-hydroxy-6-(4-phenylphenyl)sulfonylcyclohexene-1-carboxamide
SMILESO=C(NO)C1=CCCCC1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19NO4S/c21-19(20-22)17-8-4-5-9-18(17)25(23,24)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-3,6-8,10-13,18,22H,4-5,9H2,(H,20,21)
InChIKeyGXDHUCIHVMEUQW-UHFFFAOYSA-N
XLogP3.11
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.11
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-(4-phenylphenyl)sulfonylcyclohexene-1-carboxamide?
The IUPAC name of N-hydroxy-6-(4-phenylphenyl)sulfonylcyclohexene-1-carboxamide (CID 10247751) is N-hydroxy-6-(4-phenylphenyl)sulfonylcyclohexene-1-carboxamide.
What is the SMILES notation for N-hydroxy-6-(4-phenylphenyl)sulfonylcyclohexene-1-carboxamide?
The canonical SMILES for N-hydroxy-6-(4-phenylphenyl)sulfonylcyclohexene-1-carboxamide is O=C(NO)C1=CCCCC1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-hydroxy-6-(4-phenylphenyl)sulfonylcyclohexene-1-carboxamide?
The InChIKey is GXDHUCIHVMEUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c21-19(20-22)17-8-4-5-9-18(17)25(23,24)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-3,6-8,10-13,18,22H,4-5,9H2,(H,20,21).
What are the key properties of N-hydroxy-6-(4-phenylphenyl)sulfonylcyclohexene-1-carboxamide?
N-hydroxy-6-(4-phenylphenyl)sulfonylcyclohexene-1-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(4-phenylphenyl)sulfonylcyclohexene-1-carboxamide is sourced from PubChem (CID 10247751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).