N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide

C14H17NO3S — CID 47358994

IUPACN-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccoc2)cc1C
InChIInChI=1S/C14H17NO3S/c1-11-4-5-14(8-12(11)2)19(16,17)15(3)9-13-6-7-18-10-13/h4-8,10H,9H2,1-3H3
InChIKeyOODMRZTVXANZMW-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.72
Rot. Bonds4

About N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide

N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide (PubChem CID 47358994) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide
PubChem CID47358994
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccoc2)cc1C
InChIInChI=1S/C14H17NO3S/c1-11-4-5-14(8-12(11)2)19(16,17)15(3)9-13-6-7-18-10-13/h4-8,10H,9H2,1-3H3
InChIKeyOODMRZTVXANZMW-UHFFFAOYSA-N
XLogP2.72
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-fluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide
CID 61422118
N-(furan-3-ylmethyl)-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110868966
N-(furan-3-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421942
N-(furan-3-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
CID 61422679
2-fluoro-5-[furan-3-ylmethyl(methyl)sulfamoyl]benzenecarbothioamide
CID 63289008
4-(aminomethyl)-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide
CID 106996774
5-amino-4-bromo-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide
CID 114625431
4-[furan-3-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61422202
2-bromo-N-(furan-3-ylmethyl)-5-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide
CID 114363049
4-[furan-3-ylmethyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804879
2-(aminomethyl)-N-(furan-3-ylmethyl)-N,4-dimethylthiophene-3-sulfonamide
CID 102752351
N,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22771503

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide?
The IUPAC name of N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide (CID 47358994) is N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide?
The canonical SMILES for N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)Cc2ccoc2)cc1C.
What is the InChIKey of N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide?
The InChIKey is OODMRZTVXANZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-11-4-5-14(8-12(11)2)19(16,17)15(3)9-13-6-7-18-10-13/h4-8,10H,9H2,1-3H3.
What are the key properties of N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide?
N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide has a molecular weight of 279.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 47358994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).