4-amino-N-[2-(furan-2-yl)ethyl]-2-nitrobenzenesulfonamide

C12H13N3O5S — CID 62158762

IUPAC4-amino-N-[2-(furan-2-yl)ethyl]-2-nitrobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCc2ccco2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H13N3O5S/c13-9-3-4-12(11(8-9)15(16)17)21(18,19)14-6-5-10-2-1-7-20-10/h1-4,7-8,14H,5-6,13H2
InChIKeyRFVOHWBGDKNUCK-UHFFFAOYSA-N
MW311.32 g/mol
LogP1.29
Rot. Bonds6

About 4-amino-N-[2-(furan-2-yl)ethyl]-2-nitrobenzenesulfonamide

4-amino-N-[2-(furan-2-yl)ethyl]-2-nitrobenzenesulfonamide (PubChem CID 62158762) has the molecular formula C12H13N3O5S and a molecular weight of 311.32 g/mol. Its IUPAC name is 4-amino-N-[2-(furan-2-yl)ethyl]-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(furan-2-yl)ethyl]-2-nitrobenzenesulfonamide
PubChem CID62158762
Molecular FormulaC12H13N3O5S
Molecular Weight311.32 g/mol
Exact Mass311.06
IUPAC Name4-amino-N-[2-(furan-2-yl)ethyl]-2-nitrobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCc2ccco2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H13N3O5S/c13-9-3-4-12(11(8-9)15(16)17)21(18,19)14-6-5-10-2-1-7-20-10/h1-4,7-8,14H,5-6,13H2
InChIKeyRFVOHWBGDKNUCK-UHFFFAOYSA-N
XLogP1.29
TPSA128.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 61128181
4-amino-2-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106407917
2-amino-4-fluoro-N-[2-(furan-2-yl)ethyl]benzenesulfonamide
CID 61128180
N-[2-(furan-2-yl)ethyl]-5-(methylamino)-4-nitrothiophene-2-sulfonamide
CID 80731327
3-N-[2-(furan-2-yl)ethyl]-5-nitrobenzene-1,3-diamine
CID 80804045
4-amino-2-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 62143223
4-amino-2-nitro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62148379
4-amino-N-(3-ethoxypropyl)-2-nitrobenzenesulfonamide
CID 62145077
4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106996804
4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804693
N-[2-(4-aminophenyl)ethyl]-4,5-dimethyl-2-nitrobenzenesulfonamide;hydrochloride
CID 120715663
4-bromo-N-[2-(furan-2-yl)ethyl]-2-nitroaniline
CID 55362529

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(furan-2-yl)ethyl]-2-nitrobenzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(furan-2-yl)ethyl]-2-nitrobenzenesulfonamide (CID 62158762) is 4-amino-N-[2-(furan-2-yl)ethyl]-2-nitrobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(furan-2-yl)ethyl]-2-nitrobenzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(furan-2-yl)ethyl]-2-nitrobenzenesulfonamide is Nc1ccc(S(=O)(=O)NCCc2ccco2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-amino-N-[2-(furan-2-yl)ethyl]-2-nitrobenzenesulfonamide?
The InChIKey is RFVOHWBGDKNUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5S/c13-9-3-4-12(11(8-9)15(16)17)21(18,19)14-6-5-10-2-1-7-20-10/h1-4,7-8,14H,5-6,13H2.
What are the key properties of 4-amino-N-[2-(furan-2-yl)ethyl]-2-nitrobenzenesulfonamide?
4-amino-N-[2-(furan-2-yl)ethyl]-2-nitrobenzenesulfonamide has a molecular weight of 311.32 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(furan-2-yl)ethyl]-2-nitrobenzenesulfonamide is sourced from PubChem (CID 62158762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).