N-(furan-3-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide

C16H14N2O5S2 — CID 90583057

IUPACN-(furan-3-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccoc2)Cc2cccs2)cc1
InChIInChI=1S/C16H14N2O5S2/c19-18(20)14-3-5-16(6-4-14)25(21,22)17(10-13-7-8-23-12-13)11-15-2-1-9-24-15/h1-9,12H,10-11H2
InChIKeyZQSFCVNPZXOXHQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.64
Rot. Bonds7

About N-(furan-3-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide

N-(furan-3-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 90583057) has the molecular formula C16H14N2O5S2 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID90583057
Molecular FormulaC16H14N2O5S2
Molecular Weight378.43 g/mol
Exact Mass378.03
IUPAC NameN-(furan-3-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccoc2)Cc2cccs2)cc1
InChIInChI=1S/C16H14N2O5S2/c19-18(20)14-3-5-16(6-4-14)25(21,22)17(10-13-7-8-23-12-13)11-15-2-1-9-24-15/h1-9,12H,10-11H2
InChIKeyZQSFCVNPZXOXHQ-UHFFFAOYSA-N
XLogP3.64
TPSA93.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
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 N-(furan-3-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(furan-3-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 90583057) is N-(furan-3-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(furan-3-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccoc2)Cc2cccs2)cc1.
What is the InChIKey of N-(furan-3-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is ZQSFCVNPZXOXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5S2/c19-18(20)14-3-5-16(6-4-14)25(21,22)17(10-13-7-8-23-12-13)11-15-2-1-9-24-15/h1-9,12H,10-11H2.
What are the key properties of N-(furan-3-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
N-(furan-3-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 378.43 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 90583057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).