3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

C13H16N2O3S — CID 43526090

IUPAC3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2cccc(N)c2)o1
InChIInChI=1S/C13H16N2O3S/c1-10-6-7-12(18-10)9-15(2)19(16,17)13-5-3-4-11(14)8-13/h3-8H,9,14H2,1-2H3
InChIKeyJQJVOSMOUPPKGW-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.99
Rot. Bonds4

About 3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (PubChem CID 43526090) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
PubChem CID43526090
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2cccc(N)c2)o1
InChIInChI=1S/C13H16N2O3S/c1-10-6-7-12(18-10)9-15(2)19(16,17)13-5-3-4-11(14)8-13/h3-8H,9,14H2,1-2H3
InChIKeyJQJVOSMOUPPKGW-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-2,6-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 43526057
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 43587615
4-[methyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phthalic acid
CID 154878088
3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 43526071
4-bromo-3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 103697188
3-amino-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105920
2,4,6-trichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55871150
3-amino-N-[(4-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105923
3-amino-N,2,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 79885779
3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105167
N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
CID 52524091
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 55262102

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (CID 43526090) is 3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is Cc1ccc(CN(C)S(=O)(=O)c2cccc(N)c2)o1.
What is the InChIKey of 3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The InChIKey is JQJVOSMOUPPKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-10-6-7-12(18-10)9-15(2)19(16,17)13-5-3-4-11(14)8-13/h3-8H,9,14H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide 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 3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 43526090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).