5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide

C13H16N2O3S — CID 61128181

IUPAC5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NCCc1ccco1
InChIInChI=1S/C13H16N2O3S/c1-10-4-5-11(14)9-13(10)19(16,17)15-7-6-12-3-2-8-18-12/h2-5,8-9,15H,6-7,14H2,1H3
InChIKeyKZMBCXJPWQDHJR-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.69
Rot. Bonds5

About 5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide

5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 61128181) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
PubChem CID61128181
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NCCc1ccco1
InChIInChI=1S/C13H16N2O3S/c1-10-4-5-11(14)9-13(10)19(16,17)15-7-6-12-3-2-8-18-12/h2-5,8-9,15H,6-7,14H2,1H3
InChIKeyKZMBCXJPWQDHJR-UHFFFAOYSA-N
XLogP1.69
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106996804
4-amino-N-[2-(furan-2-yl)ethyl]-2-nitrobenzenesulfonamide
CID 62158762
2,5-dibromo-N-[2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 81423180
5-amino-2-methyl-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 78984276
2-amino-4-fluoro-N-[2-(furan-2-yl)ethyl]benzenesulfonamide
CID 61128180
1-N-[2-(furan-2-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 61469783
4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804693
5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 54936764
1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111353458
5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914924
5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 839333
5-amino-2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 162727328

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide (CID 61128181) is 5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)NCCc1ccco1.
What is the InChIKey of 5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is KZMBCXJPWQDHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-10-4-5-11(14)9-13(10)19(16,17)15-7-6-12-3-2-8-18-12/h2-5,8-9,15H,6-7,14H2,1H3.
What are the key properties of 5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide?
5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 61128181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).