1-cyclohexyl-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide

C13H18N2O5S — CID 107745976

IUPAC1-cyclohexyl-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccc(O)c(NS(=O)(=O)CC2CCCCC2)c1
InChIInChI=1S/C13H18N2O5S/c16-13-7-6-11(15(17)18)8-12(13)14-21(19,20)9-10-4-2-1-3-5-10/h6-8,10,14,16H,1-5,9H2
InChIKeyZETPBIMTUHCBPT-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.62
Rot. Bonds5

About 1-cyclohexyl-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide

1-cyclohexyl-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide (PubChem CID 107745976) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide
PubChem CID107745976
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name1-cyclohexyl-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccc(O)c(NS(=O)(=O)CC2CCCCC2)c1
InChIInChI=1S/C13H18N2O5S/c16-13-7-6-11(15(17)18)8-12(13)14-21(19,20)9-10-4-2-1-3-5-10/h6-8,10,14,16H,1-5,9H2
InChIKeyZETPBIMTUHCBPT-UHFFFAOYSA-N
XLogP2.62
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-N-(2-hydroxy-4-nitrophenyl)methanesulfonamide
CID 107745957
N-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide
CID 113247071
N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
CID 103602349
2-(ethylsulfamoylamino)-4-nitrophenol
CID 107745997
1,1-difluoro-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide
CID 107745986
2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 113347528
N-(2-hydroxy-5-nitrophenyl)azepane-2-carboxamide
CID 107744864
2-[(cyclopropylmethylamino)methyl]-4-nitrophenol
CID 115602981
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
5-bromo-N-(2-hydroxy-5-nitrophenyl)pyridine-3-sulfonamide
CID 107745988
2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 107744629
2-amino-N-(cyclohexylmethyl)-5-nitrobenzamide
CID 62154778

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide (CID 107745976) is 1-cyclohexyl-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide is O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)CC2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide?
The InChIKey is ZETPBIMTUHCBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c16-13-7-6-11(15(17)18)8-12(13)14-21(19,20)9-10-4-2-1-3-5-10/h6-8,10,14,16H,1-5,9H2.
What are the key properties of 1-cyclohexyl-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide?
1-cyclohexyl-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide has a molecular weight of 314.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 107745976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).