1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide

C11H13FN4O2S — CID 106060565

IUPAC1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide
SMILESNCCn1cc(S(=O)(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C11H13FN4O2S/c12-9-2-1-3-10(6-9)15-19(17,18)11-7-14-16(8-11)5-4-13/h1-3,6-8,15H,4-5,13H2
InChIKeyHSLRBTSULCHYHI-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.78
Rot. Bonds5

About 1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide (PubChem CID 106060565) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide
PubChem CID106060565
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC Name1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide
SMILESNCCn1cc(S(=O)(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C11H13FN4O2S/c12-9-2-1-3-10(6-9)15-19(17,18)11-7-14-16(8-11)5-4-13/h1-3,6-8,15H,4-5,13H2
InChIKeyHSLRBTSULCHYHI-UHFFFAOYSA-N
XLogP0.78
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-(3-chlorophenyl)pyrazole-4-sulfonamide
CID 106060399
1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 114138925
1-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-5-yl)pyrazole-4-sulfonamide
CID 106059548
1-(3-aminopropyl)-N-(3-bromo-4-fluorophenyl)pyrazole-4-sulfonamide
CID 106078329
1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide
CID 106003518
1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide
CID 106087966
1-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)pyrazole-4-sulfonamide
CID 106089376
1-(2-aminoethyl)-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 106086842
1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide
CID 106087019
1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide
CID 106061816
N-(3-fluorophenyl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688105
1-(2-aminoethyl)-N-(3-bromo-2-methylphenyl)pyrazole-4-sulfonamide
CID 106088124

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide (CID 106060565) is 1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide is NCCn1cc(S(=O)(=O)Nc2cccc(F)c2)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide?
The InChIKey is HSLRBTSULCHYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c12-9-2-1-3-10(6-9)15-19(17,18)11-7-14-16(8-11)5-4-13/h1-3,6-8,15H,4-5,13H2.
What are the key properties of 1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide has a molecular weight of 284.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106060565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).