2,5-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylbenzenesulfonamide

C14H17F2N3O3S — CID 75381653

IUPAC2,5-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylbenzenesulfonamide
SMILESCOCCCn1ccc(NS(=O)(=O)c2cc(F)c(C)cc2F)n1
InChIInChI=1S/C14H17F2N3O3S/c1-10-8-12(16)13(9-11(10)15)23(20,21)18-14-4-6-19(17-14)5-3-7-22-2/h4,6,8-9H,3,5,7H2,1-2H3,(H,17,18)
InChIKeyYHIUHEUXWHEPSP-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.31
Rot. Bonds7

About 2,5-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylbenzenesulfonamide

2,5-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylbenzenesulfonamide (PubChem CID 75381653) has the molecular formula C14H17F2N3O3S and a molecular weight of 345.37 g/mol. Its IUPAC name is 2,5-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylbenzenesulfonamide
PubChem CID75381653
Molecular FormulaC14H17F2N3O3S
Molecular Weight345.37 g/mol
Exact Mass345.10
IUPAC Name2,5-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylbenzenesulfonamide
SMILESCOCCCn1ccc(NS(=O)(=O)c2cc(F)c(C)cc2F)n1
InChIInChI=1S/C14H17F2N3O3S/c1-10-8-12(16)13(9-11(10)15)23(20,21)18-14-4-6-19(17-14)5-3-7-22-2/h4,6,8-9H,3,5,7H2,1-2H3,(H,17,18)
InChIKeyYHIUHEUXWHEPSP-UHFFFAOYSA-N
XLogP2.31
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808893
N-(1-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)benzene-1-sulfonamide
CID 5014150
4-(tert-butyl)-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808927
4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 2808888
N-[1-(3-fluorobenzyl)-1H-pyrazol-3-yl]ethanesulfonamide
CID 17022757
N-[1-(3-fluorobenzyl)-1H-pyrazol-3-yl]methanesulfonamide
CID 19582053
Methyl 2-[3-[(4-ethylphenyl)sulfonylamino]pyrazol-1-yl]acetate
CID 53561633
2-fluoro-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 53597597
N-(1-ethylpyrazol-3-yl)-3-(methylsulfanylmethyl)benzenesulfonamide
CID 56731081
3-(ethoxymethyl)-N-(1-ethylpyrazol-3-yl)benzenesulfonamide
CID 56731220
N-(1-ethylpyrazol-3-yl)-3-(methoxymethyl)benzenesulfonamide
CID 71688831
2,4-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]-5-methylbenzenesulfonamide
CID 71973923

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylbenzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylbenzenesulfonamide (CID 75381653) is 2,5-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylbenzenesulfonamide is COCCCn1ccc(NS(=O)(=O)c2cc(F)c(C)cc2F)n1.
What is the InChIKey of 2,5-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylbenzenesulfonamide?
The InChIKey is YHIUHEUXWHEPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O3S/c1-10-8-12(16)13(9-11(10)15)23(20,21)18-14-4-6-19(17-14)5-3-7-22-2/h4,6,8-9H,3,5,7H2,1-2H3,(H,17,18).
What are the key properties of 2,5-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylbenzenesulfonamide?
2,5-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylbenzenesulfonamide has a molecular weight of 345.37 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 75381653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).