N-(2-cyclopentyloxy-4-nitrophenyl)-N-methylmethanesulfonamide

C13H18N2O5S — CID 11493374

IUPACN-(2-cyclopentyloxy-4-nitrophenyl)-N-methylmethanesulfonamide
SMILESCN(c1ccc([N+](=O)[O-])cc1OC1CCCC1)S(C)(=O)=O
InChIInChI=1S/C13H18N2O5S/c1-14(21(2,18)19)12-8-7-10(15(16)17)9-13(12)20-11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3
InChIKeyNKKBPINOBZGQOL-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.31
Rot. Bonds5

About N-(2-cyclopentyloxy-4-nitrophenyl)-N-methylmethanesulfonamide

N-(2-cyclopentyloxy-4-nitrophenyl)-N-methylmethanesulfonamide (PubChem CID 11493374) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(2-cyclopentyloxy-4-nitrophenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopentyloxy-4-nitrophenyl)-N-methylmethanesulfonamide
PubChem CID11493374
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC NameN-(2-cyclopentyloxy-4-nitrophenyl)-N-methylmethanesulfonamide
SMILESCN(c1ccc([N+](=O)[O-])cc1OC1CCCC1)S(C)(=O)=O
InChIInChI=1S/C13H18N2O5S/c1-14(21(2,18)19)12-8-7-10(15(16)17)9-13(12)20-11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3
InChIKeyNKKBPINOBZGQOL-UHFFFAOYSA-N
XLogP2.31
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.31
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-cyclopentyloxy-4-nitrophenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2-cyclopentyloxy-4-nitrophenyl)-N-methylmethanesulfonamide (CID 11493374) is N-(2-cyclopentyloxy-4-nitrophenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-cyclopentyloxy-4-nitrophenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-cyclopentyloxy-4-nitrophenyl)-N-methylmethanesulfonamide is CN(c1ccc([N+](=O)[O-])cc1OC1CCCC1)S(C)(=O)=O.
What is the InChIKey of N-(2-cyclopentyloxy-4-nitrophenyl)-N-methylmethanesulfonamide?
The InChIKey is NKKBPINOBZGQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-14(21(2,18)19)12-8-7-10(15(16)17)9-13(12)20-11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3.
What are the key properties of N-(2-cyclopentyloxy-4-nitrophenyl)-N-methylmethanesulfonamide?
N-(2-cyclopentyloxy-4-nitrophenyl)-N-methylmethanesulfonamide has a molecular weight of 314.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxy-4-nitrophenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 11493374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).