N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-methylpyrazole-4-sulfonamide

C15H17N5O3S — CID 71860519

IUPACN-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-methylpyrazole-4-sulfonamide
SMILESCCc1noc(-c2ccc(C)c(NS(=O)(=O)c3cnn(C)c3)c2)n1
InChIInChI=1S/C15H17N5O3S/c1-4-14-17-15(23-18-14)11-6-5-10(2)13(7-11)19-24(21,22)12-8-16-20(3)9-12/h5-9,19H,4H2,1-3H3
InChIKeySJGMAESTXFFQGM-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.14
Rot. Bonds5

About N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-methylpyrazole-4-sulfonamide

N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 71860519) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-methylpyrazole-4-sulfonamide
PubChem CID71860519
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC NameN-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-methylpyrazole-4-sulfonamide
SMILESCCc1noc(-c2ccc(C)c(NS(=O)(=O)c3cnn(C)c3)c2)n1
InChIInChI=1S/C15H17N5O3S/c1-4-14-17-15(23-18-14)11-6-5-10(2)13(7-11)19-24(21,22)12-8-16-20(3)9-12/h5-9,19H,4H2,1-3H3
InChIKeySJGMAESTXFFQGM-UHFFFAOYSA-N
XLogP2.14
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-amino-2-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 43605199
(3R,4S)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120936708
N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120864944
N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119815839
1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111926780
1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086313
3-amino-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]cyclopentane-1-carboxamide
CID 119815832
3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-(2-hydroxyethyl)-1-propylurea
CID 111859335
N-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide
CID 81421576
N-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide
CID 86991515
1-(1-cyclohexyl-3-hydroxypropyl)-3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]urea
CID 126789590
(3aS,6aR)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122086319

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-methylpyrazole-4-sulfonamide (CID 71860519) is N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-methylpyrazole-4-sulfonamide is CCc1noc(-c2ccc(C)c(NS(=O)(=O)c3cnn(C)c3)c2)n1.
What is the InChIKey of N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is SJGMAESTXFFQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c1-4-14-17-15(23-18-14)11-6-5-10(2)13(7-11)19-24(21,22)12-8-16-20(3)9-12/h5-9,19H,4H2,1-3H3.
What are the key properties of N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-methylpyrazole-4-sulfonamide?
N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 347.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 71860519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).