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

C13H14FN3O3S — CID 71920582

IUPACN-(3-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide
SMILESCc1cc(F)cc(S(=O)(=O)NC(=O)CCn2cccn2)c1
InChIInChI=1S/C13H14FN3O3S/c1-10-7-11(14)9-12(8-10)21(19,20)16-13(18)3-6-17-5-2-4-15-17/h2,4-5,7-9H,3,6H2,1H3,(H,16,18)
InChIKeyNHVZFLVBDUTZMZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.23
Rot. Bonds5

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

N-(3-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide (PubChem CID 71920582) has the molecular formula C13H14FN3O3S and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide
PubChem CID71920582
Molecular FormulaC13H14FN3O3S
Molecular Weight311.34 g/mol
Exact Mass311.07
IUPAC NameN-(3-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide
SMILESCc1cc(F)cc(S(=O)(=O)NC(=O)CCn2cccn2)c1
InChIInChI=1S/C13H14FN3O3S/c1-10-7-11(14)9-12(8-10)21(19,20)16-13(18)3-6-17-5-2-4-15-17/h2,4-5,7-9H,3,6H2,1H3,(H,16,18)
InChIKeyNHVZFLVBDUTZMZ-UHFFFAOYSA-N
XLogP1.23
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(3-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide (CID 71920582) is N-(3-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide is Cc1cc(F)cc(S(=O)(=O)NC(=O)CCn2cccn2)c1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide?
The InChIKey is NHVZFLVBDUTZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3S/c1-10-7-11(14)9-12(8-10)21(19,20)16-13(18)3-6-17-5-2-4-15-17/h2,4-5,7-9H,3,6H2,1H3,(H,16,18).
What are the key properties of N-(3-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide?
N-(3-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide has a molecular weight of 311.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylphenyl)sulfonyl-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 71920582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).