3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide

C12H15FN4O2S — CID 63287880

IUPAC3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(F)c(CN)c2)cn1
InChIInChI=1S/C12H15FN4O2S/c1-2-17-8-10(7-15-17)16-20(18,19)11-3-4-12(13)9(5-11)6-14/h3-5,7-8,16H,2,6,14H2,1H3
InChIKeyYUCWYABLGCDTHH-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.30
Rot. Bonds5

About 3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide

3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide (PubChem CID 63287880) has the molecular formula C12H15FN4O2S and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
PubChem CID63287880
Molecular FormulaC12H15FN4O2S
Molecular Weight298.34 g/mol
Exact Mass298.09
IUPAC Name3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(F)c(CN)c2)cn1
InChIInChI=1S/C12H15FN4O2S/c1-2-17-8-10(7-15-17)16-20(18,19)11-3-4-12(13)9(5-11)6-14/h3-5,7-8,16H,2,6,14H2,1H3
InChIKeyYUCWYABLGCDTHH-UHFFFAOYSA-N
XLogP1.30
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide (CID 63287880) is 3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide is CCn1cc(NS(=O)(=O)c2ccc(F)c(CN)c2)cn1.
What is the InChIKey of 3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
The InChIKey is YUCWYABLGCDTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2S/c1-2-17-8-10(7-15-17)16-20(18,19)11-3-4-12(13)9(5-11)6-14/h3-5,7-8,16H,2,6,14H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide has a molecular weight of 298.34 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63287880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).