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

C21H23N3O3S — CID 2243647

IUPACN-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1
InChIInChI=1S/C21H23N3O3S/c25-28(26,19-14-8-3-9-15-19)24(18-12-6-2-7-13-18)16-20-22-21(23-27-20)17-10-4-1-5-11-17/h1,3-5,8-11,14-15,18H,2,6-7,12-13,16H2
InChIKeyJHDIOWVNTFKWPS-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.26
Rot. Bonds6

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

N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 2243647) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
PubChem CID2243647
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1
InChIInChI=1S/C21H23N3O3S/c25-28(26,19-14-8-3-9-15-19)24(18-12-6-2-7-13-18)16-20-22-21(23-27-20)17-10-4-1-5-11-17/h1,3-5,8-11,14-15,18H,2,6-7,12-13,16H2
InChIKeyJHDIOWVNTFKWPS-UHFFFAOYSA-N
XLogP4.26
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154570
N-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide
CID 17358750
N-cyclopentyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154753
N-cyclohexyl-4-iodo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 2240067
4-tert-butyl-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 8835704
5-chloro-N-cyclohexyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 30154240
5-chloro-N-cyclopentyl-2-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 30154373
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide
CID 1259410
(2S)-N-cyclohexyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 7679002
N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine
CID 2951433
4-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]benzaldehyde
CID 25219232
N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 7708635

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (CID 2243647) is N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is JHDIOWVNTFKWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c25-28(26,19-14-8-3-9-15-19)24(18-12-6-2-7-13-18)16-20-22-21(23-27-20)17-10-4-1-5-11-17/h1,3-5,8-11,14-15,18H,2,6-7,12-13,16H2.
What are the key properties of N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 2243647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).