N-(3-fluoro-4-methoxyphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide

C15H20FN3O3S — CID 56791197

IUPACN-(3-fluoro-4-methoxyphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)nn(C(C)C)c2C)cc1F
InChIInChI=1S/C15H20FN3O3S/c1-9(2)19-11(4)15(10(3)17-19)23(20,21)18-12-6-7-14(22-5)13(16)8-12/h6-9,18H,1-5H3
InChIKeyJYGSNLGCUWAOOH-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.03
Rot. Bonds5

About N-(3-fluoro-4-methoxyphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide

N-(3-fluoro-4-methoxyphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 56791197) has the molecular formula C15H20FN3O3S and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID56791197
Molecular FormulaC15H20FN3O3S
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)nn(C(C)C)c2C)cc1F
InChIInChI=1S/C15H20FN3O3S/c1-9(2)19-11(4)15(10(3)17-19)23(20,21)18-12-6-7-14(22-5)13(16)8-12/h6-9,18H,1-5H3
InChIKeyJYGSNLGCUWAOOH-UHFFFAOYSA-N
XLogP3.03
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,4,5-tetrafluoro-6-[(3-fluoro-4-methoxyphenyl)sulfamoyl]benzoic acid
CID 155578468
N-(2,6-difluoro-3-pyridinyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 126831731
2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide
CID 43452572
3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 60808628
N-(3-fluoro-4-propan-2-yloxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110777500
2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
CID 12016875
4-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylamino]-2-fluorobenzoic acid
CID 136529828
N-(3-bromo-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 104779597
4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 43380676
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28536732
N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 39825061
N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide
CID 110776517

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide (CID 56791197) is N-(3-fluoro-4-methoxyphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide is COc1ccc(NS(=O)(=O)c2c(C)nn(C(C)C)c2C)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is JYGSNLGCUWAOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3S/c1-9(2)19-11(4)15(10(3)17-19)23(20,21)18-12-6-7-14(22-5)13(16)8-12/h6-9,18H,1-5H3.
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide?
N-(3-fluoro-4-methoxyphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 341.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 56791197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).