N-[4-chloro-2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methoxyethyl)-3,5-dimethylpyrazole-4-sulfonamide

C18H22ClN5O4S — CID 99786603

IUPACN-[4-chloro-2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methoxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCc1noc(-c2cc(Cl)ccc2NS(=O)(=O)c2c(C)nn(CCOC)c2C)n1
InChIInChI=1S/C18H22ClN5O4S/c1-5-16-20-18(28-22-16)14-10-13(19)6-7-15(14)23-29(25,26)17-11(2)21-24(12(17)3)8-9-27-4/h6-7,10,23H,5,8-9H2,1-4H3
InChIKeyWPTMMWFMLUKBFD-UHFFFAOYSA-N
MW439.93 g/mol
LogP3.21
Rot. Bonds8

About N-[4-chloro-2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methoxyethyl)-3,5-dimethylpyrazole-4-sulfonamide

N-[4-chloro-2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methoxyethyl)-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 99786603) has the molecular formula C18H22ClN5O4S and a molecular weight of 439.93 g/mol. Its IUPAC name is N-[4-chloro-2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methoxyethyl)-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methoxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID99786603
Molecular FormulaC18H22ClN5O4S
Molecular Weight439.93 g/mol
Exact Mass439.11
IUPAC NameN-[4-chloro-2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methoxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCc1noc(-c2cc(Cl)ccc2NS(=O)(=O)c2c(C)nn(CCOC)c2C)n1
InChIInChI=1S/C18H22ClN5O4S/c1-5-16-20-18(28-22-16)14-10-13(19)6-7-15(14)23-29(25,26)17-11(2)21-24(12(17)3)8-9-27-4/h6-7,10,23H,5,8-9H2,1-4H3
InChIKeyWPTMMWFMLUKBFD-UHFFFAOYSA-N
XLogP3.21
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.93
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methoxyethyl)-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[4-chloro-2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methoxyethyl)-3,5-dimethylpyrazole-4-sulfonamide (CID 99786603) is N-[4-chloro-2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methoxyethyl)-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-chloro-2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methoxyethyl)-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[4-chloro-2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methoxyethyl)-3,5-dimethylpyrazole-4-sulfonamide is CCc1noc(-c2cc(Cl)ccc2NS(=O)(=O)c2c(C)nn(CCOC)c2C)n1.
What is the InChIKey of N-[4-chloro-2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methoxyethyl)-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is WPTMMWFMLUKBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O4S/c1-5-16-20-18(28-22-16)14-10-13(19)6-7-15(14)23-29(25,26)17-11(2)21-24(12(17)3)8-9-27-4/h6-7,10,23H,5,8-9H2,1-4H3.
What are the key properties of N-[4-chloro-2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methoxyethyl)-3,5-dimethylpyrazole-4-sulfonamide?
N-[4-chloro-2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methoxyethyl)-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 439.93 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methoxyethyl)-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 99786603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).