N-[(R)-cyano(furan-2-yl)methyl]-4-methylbenzenesulfonamide

C13H12N2O3S — CID 94285066

IUPACN-[(R)-cyano(furan-2-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C#N)c2ccco2)cc1
InChIInChI=1S/C13H12N2O3S/c1-10-4-6-11(7-5-10)19(16,17)15-12(9-14)13-3-2-8-18-13/h2-8,12,15H,1H3/t12-/m1/s1
InChIKeyQOMMZMFELMPJNM-GFCCVEGCSA-N
MW276.32 g/mol
LogP2.13
Rot. Bonds4

About N-[(R)-cyano(furan-2-yl)methyl]-4-methylbenzenesulfonamide

N-[(R)-cyano(furan-2-yl)methyl]-4-methylbenzenesulfonamide (PubChem CID 94285066) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[(R)-cyano(furan-2-yl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(R)-cyano(furan-2-yl)methyl]-4-methylbenzenesulfonamide
PubChem CID94285066
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-[(R)-cyano(furan-2-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C#N)c2ccco2)cc1
InChIInChI=1S/C13H12N2O3S/c1-10-4-6-11(7-5-10)19(16,17)15-12(9-14)13-3-2-8-18-13/h2-8,12,15H,1H3/t12-/m1/s1
InChIKeyQOMMZMFELMPJNM-GFCCVEGCSA-N
XLogP2.13
TPSA83.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 2800757
(2-Amino-2-oxoethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2401241
3-(2-Furyl)-3-{[(4-methylphenyl)sulfonyl]amino}propanoic acid
CID 3238958
4-cyano-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 60594905
N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 641766
(2E)-3-(4-{[(furan-2-yl)methyl]sulfamoyl}phenyl)prop-2-enoic acid
CID 779298
N-(furan-2-ylmethyl)-2,3,4-trimethylbenzenesulfonamide
CID 654806
N-(2-furylmethyl)-4'-methyl-4-biphenylsulfonamide
CID 890678
4-[2-(Furan-2-ylmethylamino)ethyl]benzenesulfonamide
CID 4722624
4-(2,6-Dimethyl-piperidine-1-carbonyl)-N-furan-2-ylmethyl-benzenesulfonamide
CID 24793493
5-{[(2-Furylmethyl)amino]sulfonyl}-2-methylbenzamide
CID 1087776
4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide
CID 141518732

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyano(furan-2-yl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(R)-cyano(furan-2-yl)methyl]-4-methylbenzenesulfonamide (CID 94285066) is N-[(R)-cyano(furan-2-yl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(R)-cyano(furan-2-yl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(R)-cyano(furan-2-yl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](C#N)c2ccco2)cc1.
What is the InChIKey of N-[(R)-cyano(furan-2-yl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is QOMMZMFELMPJNM-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-10-4-6-11(7-5-10)19(16,17)15-12(9-14)13-3-2-8-18-13/h2-8,12,15H,1H3/t12-/m1/s1.
What are the key properties of N-[(R)-cyano(furan-2-yl)methyl]-4-methylbenzenesulfonamide?
N-[(R)-cyano(furan-2-yl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 276.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyano(furan-2-yl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 94285066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).