N-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C12H14FN3O3S — CID 115620973

IUPACN-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cn[nH]c2C)cc1F
InChIInChI=1S/C12H14FN3O3S/c1-3-19-11-5-4-9(6-10(11)13)16-20(17,18)12-7-14-15-8(12)2/h4-7,16H,3H2,1-2H3,(H,14,15)
InChIKeyLBSVNQFYDIUAPE-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.06
Rot. Bonds5

About N-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 115620973) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID115620973
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC NameN-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cn[nH]c2C)cc1F
InChIInChI=1S/C12H14FN3O3S/c1-3-19-11-5-4-9(6-10(11)13)16-20(17,18)12-7-14-15-8(12)2/h4-7,16H,3H2,1-2H3,(H,14,15)
InChIKeyLBSVNQFYDIUAPE-UHFFFAOYSA-N
XLogP2.06
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930110
N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide
CID 60533583
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61228449
N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54944574
6-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-sulfonamide
CID 115588666
5-methyl-N-(3-propoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61273624
N-(3-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107334243
N-(1H-indazol-6-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61276176
5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide
CID 61126289
5-methyl-N-(4-pentylphenyl)-1H-pyrazole-4-sulfonamide
CID 61249293
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911975
1-cyano-N-(4-ethoxy-3-fluorophenyl)methanesulfonamide
CID 113399764

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 115620973) is N-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is CCOc1ccc(NS(=O)(=O)c2cn[nH]c2C)cc1F.
What is the InChIKey of N-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is LBSVNQFYDIUAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-3-19-11-5-4-9(6-10(11)13)16-20(17,18)12-7-14-15-8(12)2/h4-7,16H,3H2,1-2H3,(H,14,15).
What are the key properties of N-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 299.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 115620973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).