N-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide

C18H18ClN3O3S — CID 46365775

IUPACN-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide
SMILESCCc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(Cl)c3)c2)no1
InChIInChI=1S/C18H18ClN3O3S/c1-4-17-20-18(21-25-17)13-7-5-12(3)16(9-13)26(23,24)22-14-8-6-11(2)15(19)10-14/h5-10,22H,4H2,1-3H3
InChIKeySGKYTBYVKJVTKD-UHFFFAOYSA-N
MW391.88 g/mol
LogP4.37
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide

N-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide (PubChem CID 46365775) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide
PubChem CID46365775
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC NameN-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide
SMILESCCc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(Cl)c3)c2)no1
InChIInChI=1S/C18H18ClN3O3S/c1-4-17-20-18(21-25-17)13-7-5-12(3)16(9-13)26(23,24)22-14-8-6-11(2)15(19)10-14/h5-10,22H,4H2,1-3H3
InChIKeySGKYTBYVKJVTKD-UHFFFAOYSA-N
XLogP4.37
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-phenylbenzenesulfonamide
CID 53042694
5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 46365752
N-(3-chloro-4-methylphenyl)-2-methyl-5-[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 53205011
N-(3-chloro-4-methylphenyl)-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50767274
N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935502
N-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide
CID 46365758
N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 46365724
5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 46365804
N-(3-chloro-4-methylphenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
CID 50823775
8-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 46365792
[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82473258
N-(3-methoxyphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 46365695

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide (CID 46365775) is N-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide is CCc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(Cl)c3)c2)no1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide?
The InChIKey is SGKYTBYVKJVTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c1-4-17-20-18(21-25-17)13-7-5-12(3)16(9-13)26(23,24)22-14-8-6-11(2)15(19)10-14/h5-10,22H,4H2,1-3H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide?
N-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide has a molecular weight of 391.88 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 46365775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).