3-(aminomethyl)-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide

C11H13FN4O2S — CID 63289080

IUPAC3-(aminomethyl)-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1ccc(F)c(CN)c1
InChIInChI=1S/C11H13FN4O2S/c1-16-11(4-5-14-16)15-19(17,18)9-2-3-10(12)8(6-9)7-13/h2-6,15H,7,13H2,1H3
InChIKeyMVOAQZSEQAFPNF-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.82
Rot. Bonds4

About 3-(aminomethyl)-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide

3-(aminomethyl)-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 63289080) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-(aminomethyl)-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID63289080
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC Name3-(aminomethyl)-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1ccc(F)c(CN)c1
InChIInChI=1S/C11H13FN4O2S/c1-16-11(4-5-14-16)15-19(17,18)9-2-3-10(12)8(6-9)7-13/h2-6,15H,7,13H2,1H3
InChIKeyMVOAQZSEQAFPNF-UHFFFAOYSA-N
XLogP0.82
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide (CID 63289080) is 3-(aminomethyl)-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide is Cn1nccc1NS(=O)(=O)c1ccc(F)c(CN)c1.
What is the InChIKey of 3-(aminomethyl)-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is MVOAQZSEQAFPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c1-16-11(4-5-14-16)15-19(17,18)9-2-3-10(12)8(6-9)7-13/h2-6,15H,7,13H2,1H3.
What are the key properties of 3-(aminomethyl)-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
3-(aminomethyl)-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 284.32 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 63289080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).