4-amino-N-[2-(furan-2-yl)ethyl]-3-methoxybenzenesulfonamide

C13H16N2O4S — CID 81438347

IUPAC4-amino-N-[2-(furan-2-yl)ethyl]-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCCc2ccco2)ccc1N
InChIInChI=1S/C13H16N2O4S/c1-18-13-9-11(4-5-12(13)14)20(16,17)15-7-6-10-3-2-8-19-10/h2-5,8-9,15H,6-7,14H2,1H3
InChIKeyBDLWJLJTUIJMAG-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.39
Rot. Bonds6

About 4-amino-N-[2-(furan-2-yl)ethyl]-3-methoxybenzenesulfonamide

4-amino-N-[2-(furan-2-yl)ethyl]-3-methoxybenzenesulfonamide (PubChem CID 81438347) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-amino-N-[2-(furan-2-yl)ethyl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(furan-2-yl)ethyl]-3-methoxybenzenesulfonamide
PubChem CID81438347
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name4-amino-N-[2-(furan-2-yl)ethyl]-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCCc2ccco2)ccc1N
InChIInChI=1S/C13H16N2O4S/c1-18-13-9-11(4-5-12(13)14)20(16,17)15-7-6-10-3-2-8-19-10/h2-5,8-9,15H,6-7,14H2,1H3
InChIKeyBDLWJLJTUIJMAG-UHFFFAOYSA-N
XLogP1.39
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide
CID 106034908
4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide
CID 106035151
4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide
CID 106333246
4-amino-N-but-3-ynyl-3-methoxybenzenesulfonamide
CID 81438222
methyl 2-[2-bromo-4-[2-(furan-2-yl)ethylsulfamoyl]phenoxy]acetate
CID 100814264
4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 81437876
4-amino-N-[4-(dimethylamino)butyl]-3-methoxybenzenesulfonamide
CID 81438619
4-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 106103943
4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601
5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 61128181
4-amino-3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 114464967
4-amino-3-methoxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106006616

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(furan-2-yl)ethyl]-3-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(furan-2-yl)ethyl]-3-methoxybenzenesulfonamide (CID 81438347) is 4-amino-N-[2-(furan-2-yl)ethyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(furan-2-yl)ethyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(furan-2-yl)ethyl]-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)NCCc2ccco2)ccc1N.
What is the InChIKey of 4-amino-N-[2-(furan-2-yl)ethyl]-3-methoxybenzenesulfonamide?
The InChIKey is BDLWJLJTUIJMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-18-13-9-11(4-5-12(13)14)20(16,17)15-7-6-10-3-2-8-19-10/h2-5,8-9,15H,6-7,14H2,1H3.
What are the key properties of 4-amino-N-[2-(furan-2-yl)ethyl]-3-methoxybenzenesulfonamide?
4-amino-N-[2-(furan-2-yl)ethyl]-3-methoxybenzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(furan-2-yl)ethyl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 81438347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).