2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide

C13H16N2O3S — CID 43526688

IUPAC2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccco2)c(N)c1
InChIInChI=1S/C13H16N2O3S/c1-10-5-6-13(12(14)8-10)19(16,17)15(2)9-11-4-3-7-18-11/h3-8H,9,14H2,1-2H3
InChIKeyHPFHCQJZXBYSKF-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.99
Rot. Bonds4

About 2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide

2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide (PubChem CID 43526688) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide
PubChem CID43526688
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccco2)c(N)c1
InChIInChI=1S/C13H16N2O3S/c1-10-5-6-13(12(14)8-10)19(16,17)15(2)9-11-4-3-7-18-11/h3-8H,9,14H2,1-2H3
InChIKeyHPFHCQJZXBYSKF-UHFFFAOYSA-N
XLogP1.99
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-bromo-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526690
2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 54888480
2-amino-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 61107779
N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937948
2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 62057282
N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54929638
4-amino-2-[furan-2-ylmethyl(methyl)sulfamoyl]benzoic acid
CID 102930942
2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 62333869
3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526678
2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 79179197
3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 63322045
N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide
CID 3820660

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide (CID 43526688) is 2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)Cc2ccco2)c(N)c1.
What is the InChIKey of 2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is HPFHCQJZXBYSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-10-5-6-13(12(14)8-10)19(16,17)15(2)9-11-4-3-7-18-11/h3-8H,9,14H2,1-2H3.
What are the key properties of 2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide?
2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 43526688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).