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

C16H21N3O3S — CID 90562203

IUPACN-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohexanesulfonamide
SMILESCc1noc(Cc2ccccc2NS(=O)(=O)C2CCCCC2)n1
InChIInChI=1S/C16H21N3O3S/c1-12-17-16(22-18-12)11-13-7-5-6-10-15(13)19-23(20,21)14-8-3-2-4-9-14/h5-7,10,14,19H,2-4,8-9,11H2,1H3
InChIKeyDWLXWPWTPZZOLI-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.04
Rot. Bonds5

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

N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohexanesulfonamide (PubChem CID 90562203) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohexanesulfonamide
PubChem CID90562203
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohexanesulfonamide
SMILESCc1noc(Cc2ccccc2NS(=O)(=O)C2CCCCC2)n1
InChIInChI=1S/C16H21N3O3S/c1-12-17-16(22-18-12)11-13-7-5-6-10-15(13)19-23(20,21)14-8-3-2-4-9-14/h5-7,10,14,19H,2-4,8-9,11H2,1H3
InChIKeyDWLXWPWTPZZOLI-UHFFFAOYSA-N
XLogP3.04
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90562184
N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90562273
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-methylphenyl)urea
CID 90562124
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 90561959
N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyridine-3-sulfonamide
CID 90562286
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pentanamide
CID 90561999
N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-fluorobenzenesulfonamide
CID 90562308
1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 71800484
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-phenylbenzamide
CID 90562049
2,4-dichloro-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562040
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 90563531
5-bromo-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carboxamide
CID 90562077

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohexanesulfonamide?
The IUPAC name of N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohexanesulfonamide (CID 90562203) is N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohexanesulfonamide?
The canonical SMILES for N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohexanesulfonamide is Cc1noc(Cc2ccccc2NS(=O)(=O)C2CCCCC2)n1.
What is the InChIKey of N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohexanesulfonamide?
The InChIKey is DWLXWPWTPZZOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-12-17-16(22-18-12)11-13-7-5-6-10-15(13)19-23(20,21)14-8-3-2-4-9-14/h5-7,10,14,19H,2-4,8-9,11H2,1H3.
What are the key properties of N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohexanesulfonamide?
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohexanesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohexanesulfonamide is sourced from PubChem (CID 90562203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).