N-[2-(cyclohexylmethoxy)-4-nitrophenyl]-N-methylmethanesulfonamide

C15H22N2O5S — CID 11493892

IUPACN-[2-(cyclohexylmethoxy)-4-nitrophenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccc([N+](=O)[O-])cc1OCC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O5S/c1-16(23(2,20)21)14-9-8-13(17(18)19)10-15(14)22-11-12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3
InChIKeyUAAAPHNKXUCAHZ-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.95
Rot. Bonds6

About N-[2-(cyclohexylmethoxy)-4-nitrophenyl]-N-methylmethanesulfonamide

N-[2-(cyclohexylmethoxy)-4-nitrophenyl]-N-methylmethanesulfonamide (PubChem CID 11493892) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2-(cyclohexylmethoxy)-4-nitrophenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(cyclohexylmethoxy)-4-nitrophenyl]-N-methylmethanesulfonamide
PubChem CID11493892
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[2-(cyclohexylmethoxy)-4-nitrophenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccc([N+](=O)[O-])cc1OCC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O5S/c1-16(23(2,20)21)14-9-8-13(17(18)19)10-15(14)22-11-12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3
InChIKeyUAAAPHNKXUCAHZ-UHFFFAOYSA-N
XLogP2.95
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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-[2-(cyclohexylmethoxy)-4-nitrophenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-(cyclohexylmethoxy)-4-nitrophenyl]-N-methylmethanesulfonamide (CID 11493892) is N-[2-(cyclohexylmethoxy)-4-nitrophenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-(cyclohexylmethoxy)-4-nitrophenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-(cyclohexylmethoxy)-4-nitrophenyl]-N-methylmethanesulfonamide is CN(c1ccc([N+](=O)[O-])cc1OCC1CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-[2-(cyclohexylmethoxy)-4-nitrophenyl]-N-methylmethanesulfonamide?
The InChIKey is UAAAPHNKXUCAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-16(23(2,20)21)14-9-8-13(17(18)19)10-15(14)22-11-12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3.
What are the key properties of N-[2-(cyclohexylmethoxy)-4-nitrophenyl]-N-methylmethanesulfonamide?
N-[2-(cyclohexylmethoxy)-4-nitrophenyl]-N-methylmethanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylmethoxy)-4-nitrophenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 11493892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).