N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide

C13H13ClFN3O3S — CID 75381411

IUPACN-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide
SMILESCc1cc(S(=O)(=O)NC(=O)CCn2cccn2)c(Cl)cc1F
InChIInChI=1S/C13H13ClFN3O3S/c1-9-7-12(10(14)8-11(9)15)22(20,21)17-13(19)3-6-18-5-2-4-16-18/h2,4-5,7-8H,3,6H2,1H3,(H,17,19)
InChIKeyFRAIAUCVDKKIHN-UHFFFAOYSA-N
MW345.78 g/mol
LogP1.88
Rot. Bonds5

About N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide

N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide (PubChem CID 75381411) has the molecular formula C13H13ClFN3O3S and a molecular weight of 345.78 g/mol. Its IUPAC name is N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide
PubChem CID75381411
Molecular FormulaC13H13ClFN3O3S
Molecular Weight345.78 g/mol
Exact Mass345.04
IUPAC NameN-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide
SMILESCc1cc(S(=O)(=O)NC(=O)CCn2cccn2)c(Cl)cc1F
InChIInChI=1S/C13H13ClFN3O3S/c1-9-7-12(10(14)8-11(9)15)22(20,21)17-13(19)3-6-18-5-2-4-16-18/h2,4-5,7-8H,3,6H2,1H3,(H,17,19)
InChIKeyFRAIAUCVDKKIHN-UHFFFAOYSA-N
XLogP1.88
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide (CID 75381411) is N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide is Cc1cc(S(=O)(=O)NC(=O)CCn2cccn2)c(Cl)cc1F.
What is the InChIKey of N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide?
The InChIKey is FRAIAUCVDKKIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O3S/c1-9-7-12(10(14)8-11(9)15)22(20,21)17-13(19)3-6-18-5-2-4-16-18/h2,4-5,7-8H,3,6H2,1H3,(H,17,19).
What are the key properties of N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide?
N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide has a molecular weight of 345.78 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 75381411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).