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

C16H18N4O3S — CID 71792021

IUPAC4-cyano-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide
SMILESCc1noc(C2(NS(=O)(=O)c3ccc(C#N)cc3)CCCCC2)n1
InChIInChI=1S/C16H18N4O3S/c1-12-18-15(23-19-12)16(9-3-2-4-10-16)20-24(21,22)14-7-5-13(11-17)6-8-14/h5-8,20H,2-4,9-10H2,1H3
InChIKeyUCDUSFVYZQHQOM-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.39
Rot. Bonds4

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

4-cyano-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide (PubChem CID 71792021) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-cyano-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide
PubChem CID71792021
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name4-cyano-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide
SMILESCc1noc(C2(NS(=O)(=O)c3ccc(C#N)cc3)CCCCC2)n1
InChIInChI=1S/C16H18N4O3S/c1-12-18-15(23-19-12)16(9-3-2-4-10-16)20-24(21,22)14-7-5-13(11-17)6-8-14/h5-8,20H,2-4,9-10H2,1H3
InChIKeyUCDUSFVYZQHQOM-UHFFFAOYSA-N
XLogP2.39
TPSA108.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide (CID 71792021) is 4-cyano-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide is Cc1noc(C2(NS(=O)(=O)c3ccc(C#N)cc3)CCCCC2)n1.
What is the InChIKey of 4-cyano-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide?
The InChIKey is UCDUSFVYZQHQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-12-18-15(23-19-12)16(9-3-2-4-10-16)20-24(21,22)14-7-5-13(11-17)6-8-14/h5-8,20H,2-4,9-10H2,1H3.
What are the key properties of 4-cyano-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide?
4-cyano-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 71792021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).