4-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

C15H16N2O3S — CID 79184917

IUPAC4-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2ccc(CC#N)cc2)o1
InChIInChI=1S/C15H16N2O3S/c1-12-3-6-14(20-12)11-17(2)21(18,19)15-7-4-13(5-8-15)9-10-16/h3-8H,9,11H2,1-2H3
InChIKeyQCQZTGUIKQFWSX-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.47
Rot. Bonds5

About 4-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

4-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (PubChem CID 79184917) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
PubChem CID79184917
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name4-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2ccc(CC#N)cc2)o1
InChIInChI=1S/C15H16N2O3S/c1-12-3-6-14(20-12)11-17(2)21(18,19)15-7-4-13(5-8-15)9-10-16/h3-8H,9,11H2,1-2H3
InChIKeyQCQZTGUIKQFWSX-UHFFFAOYSA-N
XLogP2.47
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 79185156
N-[(5-chlorothiophen-2-yl)methyl]-4-(cyanomethyl)-N-methylbenzenesulfonamide
CID 79185686
4-(cyanomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide
CID 79195632
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 43526090
4-bromo-3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 103697188
4-[methyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phthalic acid
CID 154878088
N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
CID 52524091
4-(cyanomethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 79184931
4-(cyanomethyl)-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide
CID 114230211
2-[[4-(cyanomethyl)phenyl]sulfonyl-methylamino]-N,N-dimethylacetamide
CID 79186471
4-(cyanomethyl)-N-(2-cyanopropyl)-N-methylbenzenesulfonamide
CID 79185385
2-(5-methylfuran-2-yl)acetonitrile
CID 11126236

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (CID 79184917) is 4-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is Cc1ccc(CN(C)S(=O)(=O)c2ccc(CC#N)cc2)o1.
What is the InChIKey of 4-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The InChIKey is QCQZTGUIKQFWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-12-3-6-14(20-12)11-17(2)21(18,19)15-7-4-13(5-8-15)9-10-16/h3-8H,9,11H2,1-2H3.
What are the key properties of 4-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
4-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide has a molecular weight of 304.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 79184917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).