N-(furan-2-ylmethyl)-2,3,4-trimethylbenzenesulfonamide

C14H17NO3S — CID 654806

IUPACN-(furan-2-ylmethyl)-2,3,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)c(C)c1C
InChIInChI=1S/C14H17NO3S/c1-10-6-7-14(12(3)11(10)2)19(16,17)15-9-13-5-4-8-18-13/h4-8,15H,9H2,1-3H3
InChIKeyJPKKDNGXWRMSKW-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.68
Rot. Bonds4

About N-(furan-2-ylmethyl)-2,3,4-trimethylbenzenesulfonamide

N-(furan-2-ylmethyl)-2,3,4-trimethylbenzenesulfonamide (PubChem CID 654806) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,3,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,3,4-trimethylbenzenesulfonamide
PubChem CID654806
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-(furan-2-ylmethyl)-2,3,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)c(C)c1C
InChIInChI=1S/C14H17NO3S/c1-10-6-7-14(12(3)11(10)2)19(16,17)15-9-13-5-4-8-18-13/h4-8,15H,9H2,1-3H3
InChIKeyJPKKDNGXWRMSKW-UHFFFAOYSA-N
XLogP2.68
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)naphthalene-2-sulfonamide
CID 683661
1-[(3,4-Dimethylphenyl)sulfonyl]-4-(2-furylmethyl)piperazine
CID 17376577
benzenesulfonamide, N-(2-furanylmethyl)-4-methyl-
CID 641766
(2E)-3-(4-{[(furan-2-yl)methyl]sulfamoyl}phenyl)prop-2-enoic acid
CID 779298
N-(2-furylmethyl)-4'-methyl-4-biphenylsulfonamide
CID 890678
N-(2-furylmethyl)-2-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}acetamide
CID 984199
N-[(furan-2-yl)methyl]-4-methoxynaphthalene-1-sulfonamide
CID 1250496
N-(2-furylmethyl)-9H-fluorene-2-sulfonamide
CID 1300461
4-[2-(Furan-2-ylmethylamino)ethyl]benzenesulfonamide
CID 4722624
N-(furan-2-ylmethyl)-7-methylnaphthalene-2-sulfonamide
CID 691572
5-{[(2-Furylmethyl)amino]sulfonyl}-2-methylbenzamide
CID 1087776
N2,N7-bis(furan-2-ylmethyl)-9H-fluorene-2,7-disulfonamide
CID 980900

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,3,4-trimethylbenzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-2,3,4-trimethylbenzenesulfonamide (CID 654806) is N-(furan-2-ylmethyl)-2,3,4-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,3,4-trimethylbenzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2,3,4-trimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccco2)c(C)c1C.
What is the InChIKey of N-(furan-2-ylmethyl)-2,3,4-trimethylbenzenesulfonamide?
The InChIKey is JPKKDNGXWRMSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-10-6-7-14(12(3)11(10)2)19(16,17)15-9-13-5-4-8-18-13/h4-8,15H,9H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-2,3,4-trimethylbenzenesulfonamide?
N-(furan-2-ylmethyl)-2,3,4-trimethylbenzenesulfonamide has a molecular weight of 279.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,3,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 654806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).