N-(furan-2-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide

C19H19NO3S — CID 17458263

IUPACN-(furan-2-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)cc1C
InChIInChI=1S/C19H19NO3S/c1-15-10-11-19(13-16(15)2)24(21,22)20(14-18-9-6-12-23-18)17-7-4-3-5-8-17/h3-13H,14H2,1-2H3
InChIKeyYZKPWNMQXQWYAJ-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.29
Rot. Bonds5

About N-(furan-2-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide

N-(furan-2-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide (PubChem CID 17458263) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
PubChem CID17458263
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC NameN-(furan-2-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)cc1C
InChIInChI=1S/C19H19NO3S/c1-15-10-11-19(13-16(15)2)24(21,22)20(14-18-9-6-12-23-18)17-7-4-3-5-8-17/h3-13H,14H2,1-2H3
InChIKeyYZKPWNMQXQWYAJ-UHFFFAOYSA-N
XLogP4.29
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-(furan-2-ylmethyl)-N-phenylbenzenesulfonamide
CID 51307345
N-(2-hydroxyethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 38868903
N-[2-(dimethylamino)ethyl]-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 60604204
N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 39877190
3,4-difluoro-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 39877116
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 90570380
N-(furan-2-ylmethyl)-N-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 47062923
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide
CID 30176489
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
N-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 24679289
methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate
CID 95970862
N-benzyl-N-(furan-2-ylmethyl)-2,5-dimethylbenzenesulfonamide
CID 2563703

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide (CID 17458263) is N-(furan-2-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)cc1C.
What is the InChIKey of N-(furan-2-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide?
The InChIKey is YZKPWNMQXQWYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-15-10-11-19(13-16(15)2)24(21,22)20(14-18-9-6-12-23-18)17-7-4-3-5-8-17/h3-13H,14H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide?
N-(furan-2-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 4.29, 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)-3,4-dimethyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 17458263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).