N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-fluoro-3-methoxybenzenesulfonamide

C14H18FN3O3S — CID 91651680

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-fluoro-3-methoxybenzenesulfonamide
SMILESCCn1nc(C)c(NS(=O)(=O)c2ccc(F)c(OC)c2)c1C
InChIInChI=1S/C14H18FN3O3S/c1-5-18-10(3)14(9(2)16-18)17-22(19,20)11-6-7-12(15)13(8-11)21-4/h6-8,17H,5H2,1-4H3
InChIKeyLPMXVORIWADHFY-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.47
Rot. Bonds5

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-fluoro-3-methoxybenzenesulfonamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-fluoro-3-methoxybenzenesulfonamide (PubChem CID 91651680) has the molecular formula C14H18FN3O3S and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-fluoro-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-fluoro-3-methoxybenzenesulfonamide
PubChem CID91651680
Molecular FormulaC14H18FN3O3S
Molecular Weight327.38 g/mol
Exact Mass327.11
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-fluoro-3-methoxybenzenesulfonamide
SMILESCCn1nc(C)c(NS(=O)(=O)c2ccc(F)c(OC)c2)c1C
InChIInChI=1S/C14H18FN3O3S/c1-5-18-10(3)14(9(2)16-18)17-22(19,20)11-6-7-12(15)13(8-11)21-4/h6-8,17H,5H2,1-4H3
InChIKeyLPMXVORIWADHFY-UHFFFAOYSA-N
XLogP2.47
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-fluoro-3-methoxybenzenesulfonamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-fluoro-3-methoxybenzenesulfonamide (CID 91651680) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-fluoro-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-fluoro-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-fluoro-3-methoxybenzenesulfonamide is CCn1nc(C)c(NS(=O)(=O)c2ccc(F)c(OC)c2)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-fluoro-3-methoxybenzenesulfonamide?
The InChIKey is LPMXVORIWADHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3S/c1-5-18-10(3)14(9(2)16-18)17-22(19,20)11-6-7-12(15)13(8-11)21-4/h6-8,17H,5H2,1-4H3.
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-fluoro-3-methoxybenzenesulfonamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-fluoro-3-methoxybenzenesulfonamide has a molecular weight of 327.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-fluoro-3-methoxybenzenesulfonamide is sourced from PubChem (CID 91651680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).