N-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide

C19H18ClN3O3S — CID 78891540

IUPACN-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(Cl)c2-n2cccn2)cc1
InChIInChI=1S/C19H18ClN3O3S/c1-14-6-8-15(9-7-14)27(25,26)13-10-18(24)22-17-5-2-4-16(20)19(17)23-12-3-11-21-23/h2-9,11-12H,10,13H2,1H3,(H,22,24)
InChIKeyRJLGBTYUOJQXDY-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.64
Rot. Bonds6

About N-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide

N-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 78891540) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is N-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID78891540
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC NameN-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(Cl)c2-n2cccn2)cc1
InChIInChI=1S/C19H18ClN3O3S/c1-14-6-8-15(9-7-14)27(25,26)13-10-18(24)22-17-5-2-4-16(20)19(17)23-12-3-11-21-23/h2-9,11-12H,10,13H2,1H3,(H,22,24)
InChIKeyRJLGBTYUOJQXDY-UHFFFAOYSA-N
XLogP3.64
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[2-(3-chloro-2-pyrazol-1-ylanilino)-2-oxoethyl]sulfanylacetic acid
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide (CID 78891540) is N-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(Cl)c2-n2cccn2)cc1.
What is the InChIKey of N-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is RJLGBTYUOJQXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-14-6-8-15(9-7-14)27(25,26)13-10-18(24)22-17-5-2-4-16(20)19(17)23-12-3-11-21-23/h2-9,11-12H,10,13H2,1H3,(H,22,24).
What are the key properties of N-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 403.89 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 78891540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).