4-amino-3-(2-methylfuran-3-yl)sulfanylbenzenesulfonamide

C11H12N2O3S2 — CID 114000637

IUPAC4-amino-3-(2-methylfuran-3-yl)sulfanylbenzenesulfonamide
SMILESCc1occc1Sc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C11H12N2O3S2/c1-7-10(4-5-16-7)17-11-6-8(18(13,14)15)2-3-9(11)12/h2-6H,12H2,1H3,(H2,13,14,15)
InChIKeyQAOIEQKOQHNXBO-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.97
Rot. Bonds3

About 4-amino-3-(2-methylfuran-3-yl)sulfanylbenzenesulfonamide

4-amino-3-(2-methylfuran-3-yl)sulfanylbenzenesulfonamide (PubChem CID 114000637) has the molecular formula C11H12N2O3S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-amino-3-(2-methylfuran-3-yl)sulfanylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2-methylfuran-3-yl)sulfanylbenzenesulfonamide
PubChem CID114000637
Molecular FormulaC11H12N2O3S2
Molecular Weight284.36 g/mol
Exact Mass284.03
IUPAC Name4-amino-3-(2-methylfuran-3-yl)sulfanylbenzenesulfonamide
SMILESCc1occc1Sc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C11H12N2O3S2/c1-7-10(4-5-16-7)17-11-6-8(18(13,14)15)2-3-9(11)12/h2-6H,12H2,1H3,(H2,13,14,15)
InChIKeyQAOIEQKOQHNXBO-UHFFFAOYSA-N
XLogP1.97
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.97
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-(2-methylfuran-3-yl)sulfanylaniline
CID 107779579
4-methoxy-2-(2-methylfuran-3-yl)sulfanylaniline
CID 107779499
4-amino-3-phenylsulfanylbenzenesulfonamide
CID 82899045
4-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide
CID 82898337
2-methyl-4-(2-methylfuran-3-yl)sulfanylaniline
CID 107779582
4-amino-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide
CID 82899801
4-amino-3-(furan-2-ylmethylsulfanyl)benzenesulfonamide
CID 82900112
4-amino-3-propylsulfanylbenzenesulfonamide
CID 82899949
4-amino-3-(1-methylimidazol-2-yl)sulfanylbenzenesulfonamide
CID 70273184
4-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)benzenesulfonamide
CID 82899611
4-amino-3-(oxetan-3-ylsulfanyl)benzenesulfonamide
CID 82899958
2-amino-4-fluoro-5-(2-methylfuran-3-yl)sulfanylbenzoic acid
CID 114000883

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-methylfuran-3-yl)sulfanylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(2-methylfuran-3-yl)sulfanylbenzenesulfonamide (CID 114000637) is 4-amino-3-(2-methylfuran-3-yl)sulfanylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2-methylfuran-3-yl)sulfanylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(2-methylfuran-3-yl)sulfanylbenzenesulfonamide is Cc1occc1Sc1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-(2-methylfuran-3-yl)sulfanylbenzenesulfonamide?
The InChIKey is QAOIEQKOQHNXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S2/c1-7-10(4-5-16-7)17-11-6-8(18(13,14)15)2-3-9(11)12/h2-6H,12H2,1H3,(H2,13,14,15).
What are the key properties of 4-amino-3-(2-methylfuran-3-yl)sulfanylbenzenesulfonamide?
4-amino-3-(2-methylfuran-3-yl)sulfanylbenzenesulfonamide has a molecular weight of 284.36 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-methylfuran-3-yl)sulfanylbenzenesulfonamide is sourced from PubChem (CID 114000637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).