4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide

C14H14N2O3S — CID 79185156

IUPAC4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1ccc(CC#N)cc1
InChIInChI=1S/C14H14N2O3S/c1-16(11-13-3-2-10-19-13)20(17,18)14-6-4-12(5-7-14)8-9-15/h2-7,10H,8,11H2,1H3
InChIKeyUWFLHFPOYXIYOQ-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.17
Rot. Bonds5

About 4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide

4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide (PubChem CID 79185156) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
PubChem CID79185156
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1ccc(CC#N)cc1
InChIInChI=1S/C14H14N2O3S/c1-16(11-13-3-2-10-19-13)20(17,18)14-6-4-12(5-7-14)8-9-15/h2-7,10H,8,11H2,1H3
InChIKeyUWFLHFPOYXIYOQ-UHFFFAOYSA-N
XLogP2.17
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 79184917
N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide
CID 3820660
6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 115602451
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 51169518
N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49237525
3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526678
N-[(5-chlorothiophen-2-yl)methyl]-4-(cyanomethyl)-N-methylbenzenesulfonamide
CID 79185686
1-(4-cyanophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
CID 43397003
4-(cyanomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide
CID 79195632
N-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110733738
4-(cyanomethyl)-N-(2-cyanopropyl)-N-methylbenzenesulfonamide
CID 79185385

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide (CID 79185156) is 4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide is CN(Cc1ccco1)S(=O)(=O)c1ccc(CC#N)cc1.
What is the InChIKey of 4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
The InChIKey is UWFLHFPOYXIYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-16(11-13-3-2-10-19-13)20(17,18)14-6-4-12(5-7-14)8-9-15/h2-7,10H,8,11H2,1H3.
What are the key properties of 4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide has a molecular weight of 290.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 79185156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).