3-fluoro-4-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide

C11H13FN4O2S — CID 106214076

IUPAC3-fluoro-4-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide
SMILESCC(Nc1ccc(S(N)(=O)=O)cc1F)c1cn[nH]c1
InChIInChI=1S/C11H13FN4O2S/c1-7(8-5-14-15-6-8)16-11-3-2-9(4-10(11)12)19(13,17)18/h2-7,16H,1H3,(H,14,15)(H2,13,17,18)
InChIKeyHBKKAFJYPNUXRR-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.37
Rot. Bonds4

About 3-fluoro-4-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide

3-fluoro-4-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide (PubChem CID 106214076) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-fluoro-4-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide
PubChem CID106214076
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC Name3-fluoro-4-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide
SMILESCC(Nc1ccc(S(N)(=O)=O)cc1F)c1cn[nH]c1
InChIInChI=1S/C11H13FN4O2S/c1-7(8-5-14-15-6-8)16-11-3-2-9(4-10(11)12)19(13,17)18/h2-7,16H,1H3,(H,14,15)(H2,13,17,18)
InChIKeyHBKKAFJYPNUXRR-UHFFFAOYSA-N
XLogP1.37
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-4-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide
CID 60713097
3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854165
3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide
CID 106217125
4-(difluoromethylsulfonyl)-N-[1-(1H-pyrazol-4-yl)ethyl]aniline
CID 103894690
4-fluoro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 106217155
1-N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 106217098
4-chloro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 106217068
3-amino-4-[1-(1H-pyrazol-4-yl)ethylamino]benzamide
CID 106217149
4-(difluoromethoxy)-5-fluoro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 106217128
3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide
CID 60579391
3-amino-5-fluoro-4-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208377
3-amino-4-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208303

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide (CID 106214076) is 3-fluoro-4-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide is CC(Nc1ccc(S(N)(=O)=O)cc1F)c1cn[nH]c1.
What is the InChIKey of 3-fluoro-4-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide?
The InChIKey is HBKKAFJYPNUXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c1-7(8-5-14-15-6-8)16-11-3-2-9(4-10(11)12)19(13,17)18/h2-7,16H,1H3,(H,14,15)(H2,13,17,18).
What are the key properties of 3-fluoro-4-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide?
3-fluoro-4-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide has a molecular weight of 284.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 106214076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).