N-(2-methoxy-4-nitrophenyl)methanesulfonamide

C8H10N2O5S — CID 3298129

IUPACN-(2-methoxy-4-nitrophenyl)methanesulfonamide
SMILESCOc1cc([N+](=O)[O-])ccc1NS(C)(=O)=O
InChIInChI=1S/C8H10N2O5S/c1-15-8-5-6(10(11)12)3-4-7(8)9-16(2,13)14/h3-5,9H,1-2H3
InChIKeyOGHIXDRDSPVXJZ-UHFFFAOYSA-N
MW246.24 g/mol
LogP0.97
Rot. Bonds4

About N-(2-methoxy-4-nitrophenyl)methanesulfonamide

N-(2-methoxy-4-nitrophenyl)methanesulfonamide (PubChem CID 3298129) has the molecular formula C8H10N2O5S and a molecular weight of 246.24 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)methanesulfonamide
PubChem CID3298129
Molecular FormulaC8H10N2O5S
Molecular Weight246.24 g/mol
Exact Mass246.03
IUPAC NameN-(2-methoxy-4-nitrophenyl)methanesulfonamide
SMILESCOc1cc([N+](=O)[O-])ccc1NS(C)(=O)=O
InChIInChI=1S/C8H10N2O5S/c1-15-8-5-6(10(11)12)3-4-7(8)9-16(2,13)14/h3-5,9H,1-2H3
InChIKeyOGHIXDRDSPVXJZ-UHFFFAOYSA-N
XLogP0.97
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
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-methoxy-4-nitrophenyl)methanesulfonamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)methanesulfonamide (CID 3298129) is N-(2-methoxy-4-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)methanesulfonamide is COc1cc([N+](=O)[O-])ccc1NS(C)(=O)=O.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)methanesulfonamide?
The InChIKey is OGHIXDRDSPVXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5S/c1-15-8-5-6(10(11)12)3-4-7(8)9-16(2,13)14/h3-5,9H,1-2H3.
What are the key properties of N-(2-methoxy-4-nitrophenyl)methanesulfonamide?
N-(2-methoxy-4-nitrophenyl)methanesulfonamide has a molecular weight of 246.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 3298129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).