1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide

C13H16N2O3S — CID 62022626

IUPAC1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C13H16N2O3S/c1-15(9-12-6-4-8-18-12)19(16,17)10-11-5-2-3-7-13(11)14/h2-8H,9-10,14H2,1H3
InChIKeyHZFQENMHTZTGOW-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.82
Rot. Bonds5

About 1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide

1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide (PubChem CID 62022626) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
PubChem CID62022626
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C13H16N2O3S/c1-15(9-12-6-4-8-18-12)19(16,17)10-11-5-2-3-7-13(11)14/h2-8H,9-10,14H2,1H3
InChIKeyHZFQENMHTZTGOW-UHFFFAOYSA-N
XLogP1.82
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.82
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

1-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylmethanesulfonamide
CID 62022053
1-(2-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylmethanesulfonamide
CID 62022448
2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide
CID 62020888
1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide
CID 62022605
1-(4-cyanophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
CID 43397003
1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide
CID 62020148
3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid
CID 43526885
3-chloro-N-(furan-2-ylmethyl)-N,2-dimethylpropane-1-sulfonamide
CID 79580377
methyl 2-[(2-aminophenyl)methylsulfonyl-methylamino]acetate
CID 62021460
1-(2-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide
CID 63879084
3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526678
2-[(2-aminophenyl)methylsulfonyl-methylamino]-N,N-diethylacetamide
CID 62020164

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide (CID 62022626) is 1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide is CN(Cc1ccco1)S(=O)(=O)Cc1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide?
The InChIKey is HZFQENMHTZTGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-15(9-12-6-4-8-18-12)19(16,17)10-11-5-2-3-7-13(11)14/h2-8H,9-10,14H2,1H3.
What are the key properties of 1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide?
1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 62022626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).