N-cyclohexyl-4-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide

C16H21N3O4S — CID 50747629

IUPACN-cyclohexyl-4-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1nc(C)no1
InChIInChI=1S/C16H21N3O4S/c1-11-17-16(23-18-11)14-10-13(8-9-15(14)22-2)24(20,21)19-12-6-4-3-5-7-12/h8-10,12,19H,3-7H2,1-2H3
InChIKeyRDFHLKFPLQBBJA-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.66
Rot. Bonds5

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

N-cyclohexyl-4-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (PubChem CID 50747629) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-cyclohexyl-4-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
PubChem CID50747629
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-cyclohexyl-4-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1nc(C)no1
InChIInChI=1S/C16H21N3O4S/c1-11-17-16(23-18-11)14-10-13(8-9-15(14)22-2)24(20,21)19-12-6-4-3-5-7-12/h8-10,12,19H,3-7H2,1-2H3
InChIKeyRDFHLKFPLQBBJA-UHFFFAOYSA-N
XLogP2.66
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (CID 50747629) is N-cyclohexyl-4-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1nc(C)no1.
What is the InChIKey of N-cyclohexyl-4-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The InChIKey is RDFHLKFPLQBBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-11-17-16(23-18-11)14-10-13(8-9-15(14)22-2)24(20,21)19-12-6-4-3-5-7-12/h8-10,12,19H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-4-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
N-cyclohexyl-4-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide has a molecular weight of 351.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 50747629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).