3-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]benzenesulfonamide

C14H20N4O2S — CID 43791798

IUPAC3-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]benzenesulfonamide
SMILESCC(Cn1cccn1)NC(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H20N4O2S/c1-11(10-18-8-4-7-16-18)17-12(2)13-5-3-6-14(9-13)21(15,19)20/h3-9,11-12,17H,10H2,1-2H3,(H2,15,19,20)
InChIKeyUSRCZBPKHCHDAT-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.27
Rot. Bonds6

About 3-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]benzenesulfonamide

3-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]benzenesulfonamide (PubChem CID 43791798) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]benzenesulfonamide
PubChem CID43791798
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]benzenesulfonamide
SMILESCC(Cn1cccn1)NC(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H20N4O2S/c1-11(10-18-8-4-7-16-18)17-12(2)13-5-3-6-14(9-13)21(15,19)20/h3-9,11-12,17H,10H2,1-2H3,(H2,15,19,20)
InChIKeyUSRCZBPKHCHDAT-UHFFFAOYSA-N
XLogP1.27
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(1-methylsulfonylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 64629789
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
CID 43776942
3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 43783025
3-[1-(3-imidazol-1-ylpropylamino)ethyl]benzenesulfonamide
CID 43773780
3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide
CID 43777275
(1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine
CID 93276656
3-[1-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61461304
3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide
CID 43776526
3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide
CID 81398945

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]benzenesulfonamide (CID 43791798) is 3-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]benzenesulfonamide is CC(Cn1cccn1)NC(C)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]benzenesulfonamide?
The InChIKey is USRCZBPKHCHDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11(10-18-8-4-7-16-18)17-12(2)13-5-3-6-14(9-13)21(15,19)20/h3-9,11-12,17H,10H2,1-2H3,(H2,15,19,20).
What are the key properties of 3-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]benzenesulfonamide?
3-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43791798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).