4-amino-3-(furan-2-ylmethylsulfanyl)benzenesulfonamide

C11H12N2O3S2 — CID 82900112

IUPAC4-amino-3-(furan-2-ylmethylsulfanyl)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1SCc1ccco1
InChIInChI=1S/C11H12N2O3S2/c12-10-4-3-9(18(13,14)15)6-11(10)17-7-8-2-1-5-16-8/h1-6H,7,12H2,(H2,13,14,15)
InChIKeyQMPAKSIXMRIGKB-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.80
Rot. Bonds4

About 4-amino-3-(furan-2-ylmethylsulfanyl)benzenesulfonamide

4-amino-3-(furan-2-ylmethylsulfanyl)benzenesulfonamide (PubChem CID 82900112) has the molecular formula C11H12N2O3S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-amino-3-(furan-2-ylmethylsulfanyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(furan-2-ylmethylsulfanyl)benzenesulfonamide
PubChem CID82900112
Molecular FormulaC11H12N2O3S2
Molecular Weight284.36 g/mol
Exact Mass284.03
IUPAC Name4-amino-3-(furan-2-ylmethylsulfanyl)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1SCc1ccco1
InChIInChI=1S/C11H12N2O3S2/c12-10-4-3-9(18(13,14)15)6-11(10)17-7-8-2-1-5-16-8/h1-6H,7,12H2,(H2,13,14,15)
InChIKeyQMPAKSIXMRIGKB-UHFFFAOYSA-N
XLogP1.80
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.80
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-chloro-2-(furan-2-ylmethylsulfanyl)aniline
CID 79528052
4-amino-3-propylsulfanylbenzenesulfonamide
CID 82899949
methyl 4-amino-3-(furan-2-ylmethylsulfanyl)benzoate
CID 82796512
4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
CID 82907696
6-(furan-2-ylmethylsulfanyl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 28979199
4-amino-3-(2-methylfuran-3-yl)sulfanylbenzenesulfonamide
CID 114000637
4-amino-3-phenylsulfanylbenzenesulfonamide
CID 82899045
4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide
CID 82900371
3-(furan-2-ylmethylsulfanyl)-4-methylaniline
CID 62588700
2-(furan-2-ylmethylsulfanyl)-N-(3-sulfamoylphenyl)acetamide
CID 112780774
3-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
CID 63085665
3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide
CID 63085133

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(furan-2-ylmethylsulfanyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-(furan-2-ylmethylsulfanyl)benzenesulfonamide (CID 82900112) is 4-amino-3-(furan-2-ylmethylsulfanyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(furan-2-ylmethylsulfanyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(furan-2-ylmethylsulfanyl)benzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1SCc1ccco1.
What is the InChIKey of 4-amino-3-(furan-2-ylmethylsulfanyl)benzenesulfonamide?
The InChIKey is QMPAKSIXMRIGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S2/c12-10-4-3-9(18(13,14)15)6-11(10)17-7-8-2-1-5-16-8/h1-6H,7,12H2,(H2,13,14,15).
What are the key properties of 4-amino-3-(furan-2-ylmethylsulfanyl)benzenesulfonamide?
4-amino-3-(furan-2-ylmethylsulfanyl)benzenesulfonamide has a molecular weight of 284.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(furan-2-ylmethylsulfanyl)benzenesulfonamide is sourced from PubChem (CID 82900112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).