4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide

C11H10N2O4S2 — CID 897398

IUPAC4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C11H10N2O4S2/c14-13(15)9-3-5-11(6-4-9)19(16,17)12-8-10-2-1-7-18-10/h1-7,12H,8H2
InChIKeyILZYPANIMNJWGI-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.13
Rot. Bonds5

About 4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 897398) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID897398
Molecular FormulaC11H10N2O4S2
Molecular Weight298.35 g/mol
Exact Mass298.01
IUPAC Name4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C11H10N2O4S2/c14-13(15)9-3-5-11(6-4-9)19(16,17)12-8-10-2-1-7-18-10/h1-7,12H,8H2
InChIKeyILZYPANIMNJWGI-UHFFFAOYSA-N
XLogP2.13
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.13
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 4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 897398) is 4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccs2)cc1.
What is the InChIKey of 4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is ILZYPANIMNJWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c14-13(15)9-3-5-11(6-4-9)19(16,17)12-8-10-2-1-7-18-10/h1-7,12H,8H2.
What are the key properties of 4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 298.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 897398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).