4-cyano-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide

C13H12N4O3S — CID 131941425

IUPAC4-cyano-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2noc(C3CC3)n2)cc1
InChIInChI=1S/C13H12N4O3S/c14-7-9-1-5-11(6-2-9)21(18,19)15-8-12-16-13(20-17-12)10-3-4-10/h1-2,5-6,10,15H,3-4,8H2
InChIKeyLAFDRYDWSFWKQY-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.30
Rot. Bonds5

About 4-cyano-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide

4-cyano-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide (PubChem CID 131941425) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 4-cyano-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
PubChem CID131941425
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Name4-cyano-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2noc(C3CC3)n2)cc1
InChIInChI=1S/C13H12N4O3S/c14-7-9-1-5-11(6-2-9)21(18,19)15-8-12-16-13(20-17-12)10-3-4-10/h1-2,5-6,10,15H,3-4,8H2
InChIKeyLAFDRYDWSFWKQY-UHFFFAOYSA-N
XLogP1.30
TPSA108.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzenesulfonamide
CID 131909514
6-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pyridine-3-carbonitrile
CID 138042647
4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 60723752
N-(4-cyanophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
CID 53138284
4-cyano-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122317623
[4-[[(4-cyanophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191393
4-cyano-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82873625
4-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzonitrile
CID 75373779
5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 47395992
N-[(4-chlorophenyl)methyl]-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-1,4-benzoxazine-6-sulfonamide
CID 50824607
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]benzonitrile
CID 47283180
5-[[(4-cyanophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide
CID 26947458

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide (CID 131941425) is 4-cyano-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCc2noc(C3CC3)n2)cc1.
What is the InChIKey of 4-cyano-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is LAFDRYDWSFWKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c14-7-9-1-5-11(6-2-9)21(18,19)15-8-12-16-13(20-17-12)10-3-4-10/h1-2,5-6,10,15H,3-4,8H2.
What are the key properties of 4-cyano-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide?
4-cyano-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 304.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 131941425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).