1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide

C14H18FN3O2S — CID 71688206

IUPAC1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NCc2ccccc2F)c1C
InChIInChI=1S/C14H18FN3O2S/c1-4-18-11(3)14(10(2)17-18)21(19,20)16-9-12-7-5-6-8-13(12)15/h5-8,16H,4,9H2,1-3H3
InChIKeyRMXARAGPEFAWBN-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.14
Rot. Bonds5

About 1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide

1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 71688206) has the molecular formula C14H18FN3O2S and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID71688206
Molecular FormulaC14H18FN3O2S
Molecular Weight311.38 g/mol
Exact Mass311.11
IUPAC Name1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NCc2ccccc2F)c1C
InChIInChI=1S/C14H18FN3O2S/c1-4-18-11(3)14(10(2)17-18)21(19,20)16-9-12-7-5-6-8-13(12)15/h5-8,16H,4,9H2,1-3H3
InChIKeyRMXARAGPEFAWBN-UHFFFAOYSA-N
XLogP2.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 51699026
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanesulfonamide
CID 22206180
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22771313
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 122252847
1-ethyl-3,5-dimethyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide
CID 75519495
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide
CID 22206182
1-ethyl-3,5-dimethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazole-4-sulfonamide
CID 122353575
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 39620815
1-ethyl-3,5-dimethyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
CID 19614444
ethyl (2R)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-2-methylpropanoate
CID 96997249
1-ethyl-3,5-dimethyl-N-(2-pentan-3-ylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 71688195
4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28715737

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide (CID 71688206) is 1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)NCc2ccccc2F)c1C.
What is the InChIKey of 1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is RMXARAGPEFAWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2S/c1-4-18-11(3)14(10(2)17-18)21(19,20)16-9-12-7-5-6-8-13(12)15/h5-8,16H,4,9H2,1-3H3.
What are the key properties of 1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide?
1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 311.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71688206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).