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

C20H24N6O3S — CID 77165091

IUPAC4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
SMILESCc1nncn1C1CCCC(NS(=O)(=O)c2ccc(-c3noc(C4CC4)n3)cc2)C1
InChIInChI=1S/C20H24N6O3S/c1-13-23-21-12-26(13)17-4-2-3-16(11-17)25-30(27,28)18-9-7-14(8-10-18)19-22-20(29-24-19)15-5-6-15/h7-10,12,15-17,25H,2-6,11H2,1H3
InChIKeyVMJIQDXNDPKIIT-UHFFFAOYSA-N
MW428.52 g/mol
LogP2.98
Rot. Bonds6

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

4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide (PubChem CID 77165091) has the molecular formula C20H24N6O3S and a molecular weight of 428.52 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
PubChem CID77165091
Molecular FormulaC20H24N6O3S
Molecular Weight428.52 g/mol
Exact Mass428.16
IUPAC Name4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
SMILESCc1nncn1C1CCCC(NS(=O)(=O)c2ccc(-c3noc(C4CC4)n3)cc2)C1
InChIInChI=1S/C20H24N6O3S/c1-13-23-21-12-26(13)17-4-2-3-16(11-17)25-30(27,28)18-9-7-14(8-10-18)19-22-20(29-24-19)15-5-6-15/h7-10,12,15-17,25H,2-6,11H2,1H3
InChIKeyVMJIQDXNDPKIIT-UHFFFAOYSA-N
XLogP2.98
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1S,3R)-3-(3-cyclopropyl-1,2,4-triazol-4-yl)cyclohexyl]-2-ethylbenzenesulfonamide
CID 67491980
4-(3-cyclopropylpyrazol-1-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 75310760
4-methyl-N-[(3S,5S)-1-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]benzenesulfonamide
CID 25338368
4-chloro-N-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]benzenesulfonamide
CID 50823101
2-fluoro-N-[(1S,3R)-3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 67491050
4-methyl-N-[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzenesulfonamide
CID 25338785
4-chloro-N-[1-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzenesulfonamide
CID 74577476
5-cyclohexyl-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075266
N-[(2R)-1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-oxopropan-2-yl]-4-methylbenzenesulfonamide
CID 95063527
3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.3.1]nonan-9-amine
CID 128744634
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-cyclopentylthiophene-2-sulfonamide
CID 53042743
3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
CID 650498

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide (CID 77165091) is 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide is Cc1nncn1C1CCCC(NS(=O)(=O)c2ccc(-c3noc(C4CC4)n3)cc2)C1.
What is the InChIKey of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
The InChIKey is VMJIQDXNDPKIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S/c1-13-23-21-12-26(13)17-4-2-3-16(11-17)25-30(27,28)18-9-7-14(8-10-18)19-22-20(29-24-19)15-5-6-15/h7-10,12,15-17,25H,2-6,11H2,1H3.
What are the key properties of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide?
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide has a molecular weight of 428.52 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 77165091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).