N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide

C15H19NO3S — CID 51169518

IUPACN-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1
InChIInChI=1S/C15H19NO3S/c1-12(2)13-6-8-15(9-7-13)20(17,18)16(3)11-14-5-4-10-19-14/h4-10,12H,11H2,1-3H3
InChIKeyLAULKTRPRLHEHM-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.22
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide

N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide (PubChem CID 51169518) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
PubChem CID51169518
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1
InChIInChI=1S/C15H19NO3S/c1-12(2)13-6-8-15(9-7-13)20(17,18)16(3)11-14-5-4-10-19-14/h4-10,12H,11H2,1-3H3
InChIKeyLAULKTRPRLHEHM-UHFFFAOYSA-N
XLogP3.22
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide
CID 3820660
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49237525
4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 79185156
3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526678
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656142
4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61105124
3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 63322045
6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 115602451
4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 26027770
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 23743564
N-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110733738

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide (CID 51169518) is N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide?
The InChIKey is LAULKTRPRLHEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-12(2)13-6-8-15(9-7-13)20(17,18)16(3)11-14-5-4-10-19-14/h4-10,12H,11H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide?
N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 51169518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).