N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide

C13H16N2O3S — CID 43742503

IUPACN-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccc(C)o2)cc1
InChIInChI=1S/C13H16N2O3S/c1-10-3-6-12(18-10)9-15-11-4-7-13(8-5-11)19(16,17)14-2/h3-8,14-15H,9H2,1-2H3
InChIKeyRAPPYLZOKOYOFN-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.11
Rot. Bonds5

About N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide

N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide (PubChem CID 43742503) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide
PubChem CID43742503
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccc(C)o2)cc1
InChIInChI=1S/C13H16N2O3S/c1-10-3-6-12(18-10)9-15-11-4-7-13(8-5-11)19(16,17)14-2/h3-8,14-15H,9H2,1-2H3
InChIKeyRAPPYLZOKOYOFN-UHFFFAOYSA-N
XLogP2.11
TPSA71.34 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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-4-propylsulfonylaniline
CID 62524394
N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide
CID 106373911
N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide
CID 114186437
4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081647
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide
CID 43683738
4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 65481426
2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846
4-ethylsulfonyl-N-[(5-iodofuran-2-yl)methyl]aniline
CID 43782384
3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide
CID 43526133
N-[[4-[(5-methylfuran-2-yl)methylsulfamoyl]phenyl]methyl]acetamide
CID 51699077
tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 103818453

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide?
The IUPAC name of N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide (CID 43742503) is N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide is CNS(=O)(=O)c1ccc(NCc2ccc(C)o2)cc1.
What is the InChIKey of N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide?
The InChIKey is RAPPYLZOKOYOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-10-3-6-12(18-10)9-15-11-4-7-13(8-5-11)19(16,17)14-2/h3-8,14-15H,9H2,1-2H3.
What are the key properties of N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide?
N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 43742503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).