4-(4-chloro-3-ethylphenoxy)-N-methylsulfonyl-3-(1H-pyrazol-5-yl)benzamide

C19H18ClN3O4S — CID 66666697

IUPAC4-(4-chloro-3-ethylphenoxy)-N-methylsulfonyl-3-(1H-pyrazol-5-yl)benzamide
SMILESCCc1cc(Oc2ccc(C(=O)NS(C)(=O)=O)cc2-c2ccn[nH]2)ccc1Cl
InChIInChI=1S/C19H18ClN3O4S/c1-3-12-10-14(5-6-16(12)20)27-18-7-4-13(19(24)23-28(2,25)26)11-15(18)17-8-9-21-22-17/h4-11H,3H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyGTVHEIJPYOCNJF-UHFFFAOYSA-N
MW419.89 g/mol
LogP3.77
Rot. Bonds6

About 4-(4-chloro-3-ethylphenoxy)-N-methylsulfonyl-3-(1H-pyrazol-5-yl)benzamide

4-(4-chloro-3-ethylphenoxy)-N-methylsulfonyl-3-(1H-pyrazol-5-yl)benzamide (PubChem CID 66666697) has the molecular formula C19H18ClN3O4S and a molecular weight of 419.89 g/mol. Its IUPAC name is 4-(4-chloro-3-ethylphenoxy)-N-methylsulfonyl-3-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(4-chloro-3-ethylphenoxy)-N-methylsulfonyl-3-(1H-pyrazol-5-yl)benzamide
PubChem CID66666697
Molecular FormulaC19H18ClN3O4S
Molecular Weight419.89 g/mol
Exact Mass419.07
IUPAC Name4-(4-chloro-3-ethylphenoxy)-N-methylsulfonyl-3-(1H-pyrazol-5-yl)benzamide
SMILESCCc1cc(Oc2ccc(C(=O)NS(C)(=O)=O)cc2-c2ccn[nH]2)ccc1Cl
InChIInChI=1S/C19H18ClN3O4S/c1-3-12-10-14(5-6-16(12)20)27-18-7-4-13(19(24)23-28(2,25)26)11-15(18)17-8-9-21-22-17/h4-11H,3H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyGTVHEIJPYOCNJF-UHFFFAOYSA-N
XLogP3.77
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-chloro-4-(trifluoromethoxy)phenoxy]-N-methylsulfonyl-3-(2-propoxy-3-pyridinyl)benzamide
CID 71610667
3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid
CID 60986682
5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid
CID 63460743
4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide
CID 66767262
3-bromo-4-(4-chloro-3-ethylphenoxy)benzenecarbothioamide
CID 82804589
N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250523
4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine
CID 81233958
5-chloro-2-(3-chlorophenoxy)-N-methylsulfonylbenzamide
CID 146154870
4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide
CID 56592533
5-(4-chloro-3-ethylphenoxy)thiophene-2-carboxylic acid
CID 113404029
2-(4-chloro-3-ethylphenoxy)pyrimidine-5-carboxylic acid
CID 113387803
N-[[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine
CID 114856344

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-ethylphenoxy)-N-methylsulfonyl-3-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 4-(4-chloro-3-ethylphenoxy)-N-methylsulfonyl-3-(1H-pyrazol-5-yl)benzamide (CID 66666697) is 4-(4-chloro-3-ethylphenoxy)-N-methylsulfonyl-3-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 4-(4-chloro-3-ethylphenoxy)-N-methylsulfonyl-3-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 4-(4-chloro-3-ethylphenoxy)-N-methylsulfonyl-3-(1H-pyrazol-5-yl)benzamide is CCc1cc(Oc2ccc(C(=O)NS(C)(=O)=O)cc2-c2ccn[nH]2)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-ethylphenoxy)-N-methylsulfonyl-3-(1H-pyrazol-5-yl)benzamide?
The InChIKey is GTVHEIJPYOCNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4S/c1-3-12-10-14(5-6-16(12)20)27-18-7-4-13(19(24)23-28(2,25)26)11-15(18)17-8-9-21-22-17/h4-11H,3H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 4-(4-chloro-3-ethylphenoxy)-N-methylsulfonyl-3-(1H-pyrazol-5-yl)benzamide?
4-(4-chloro-3-ethylphenoxy)-N-methylsulfonyl-3-(1H-pyrazol-5-yl)benzamide has a molecular weight of 419.89 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-ethylphenoxy)-N-methylsulfonyl-3-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 66666697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).