N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)propanamide

C14H15F2N3O3S — CID 75381063

IUPACN-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)propanamide
SMILESCc1cc(F)c(S(=O)(=O)NC(=O)C(C)c2cnn(C)c2)cc1F
InChIInChI=1S/C14H15F2N3O3S/c1-8-4-12(16)13(5-11(8)15)23(21,22)18-14(20)9(2)10-6-17-19(3)7-10/h4-7,9H,1-3H3,(H,18,20)
InChIKeyBWUZXWQPTQAOGX-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.62
Rot. Bonds4

About N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)propanamide

N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)propanamide (PubChem CID 75381063) has the molecular formula C14H15F2N3O3S and a molecular weight of 343.36 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)propanamide
PubChem CID75381063
Molecular FormulaC14H15F2N3O3S
Molecular Weight343.36 g/mol
Exact Mass343.08
IUPAC NameN-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)propanamide
SMILESCc1cc(F)c(S(=O)(=O)NC(=O)C(C)c2cnn(C)c2)cc1F
InChIInChI=1S/C14H15F2N3O3S/c1-8-4-12(16)13(5-11(8)15)23(21,22)18-14(20)9(2)10-6-17-19(3)7-10/h4-7,9H,1-3H3,(H,18,20)
InChIKeyBWUZXWQPTQAOGX-UHFFFAOYSA-N
XLogP1.62
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)propanamide (CID 75381063) is N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)propanamide is Cc1cc(F)c(S(=O)(=O)NC(=O)C(C)c2cnn(C)c2)cc1F.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is BWUZXWQPTQAOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O3S/c1-8-4-12(16)13(5-11(8)15)23(21,22)18-14(20)9(2)10-6-17-19(3)7-10/h4-7,9H,1-3H3,(H,18,20).
What are the key properties of N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)propanamide?
N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 343.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)sulfonyl-2-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 75381063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).