4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C14H15N3O5S — CID 51330572

IUPAC4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccn2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O5S/c1-22-12-5-6-14(13(10-12)17(18)19)23(20,21)16-9-7-11-4-2-3-8-15-11/h2-6,8,10,16H,7,9H2,1H3
InChIKeyUSHPJPQGZCSFAV-UHFFFAOYSA-N
MW337.36 g/mol
LogP1.52
Rot. Bonds7

About 4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide

4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 51330572) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is 4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID51330572
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC Name4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccn2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O5S/c1-22-12-5-6-14(13(10-12)17(18)19)23(20,21)16-9-7-11-4-2-3-8-15-11/h2-6,8,10,16H,7,9H2,1H3
InChIKeyUSHPJPQGZCSFAV-UHFFFAOYSA-N
XLogP1.52
TPSA111.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 51330572) is 4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2ccccn2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is USHPJPQGZCSFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S/c1-22-12-5-6-14(13(10-12)17(18)19)23(20,21)16-9-7-11-4-2-3-8-15-11/h2-6,8,10,16H,7,9H2,1H3.
What are the key properties of 4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 337.36 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 51330572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).