4-[1-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]benzenesulfonamide

C13H18N4O2S — CID 60972429

IUPAC4-[1-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]benzenesulfonamide
SMILESCC(NC(C)c1ccn[nH]1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H18N4O2S/c1-9(16-10(2)13-7-8-15-17-13)11-3-5-12(6-4-11)20(14,18)19/h3-10,16H,1-2H3,(H,15,17)(H2,14,18,19)
InChIKeyWWSPXOHECUXFJA-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.47
Rot. Bonds5

About 4-[1-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]benzenesulfonamide

4-[1-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]benzenesulfonamide (PubChem CID 60972429) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-[1-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]benzenesulfonamide
PubChem CID60972429
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name4-[1-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]benzenesulfonamide
SMILESCC(NC(C)c1ccn[nH]1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H18N4O2S/c1-9(16-10(2)13-7-8-15-17-13)11-3-5-12(6-4-11)20(14,18)19/h3-10,16H,1-2H3,(H,15,17)(H2,14,18,19)
InChIKeyWWSPXOHECUXFJA-UHFFFAOYSA-N
XLogP1.47
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81349237
(1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81355261
1-(4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 66242814
1-(4-propan-2-yloxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 60972184
4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101
4-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]benzenesulfonamide
CID 104980890
4-[1-(pent-4-en-2-ylamino)ethyl]benzenesulfonamide
CID 115898648
4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide
CID 43758356
(1R)-1-(3-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81371761
1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 54881269
4-[1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide
CID 43681920
4-[1-(cyclohexylamino)ethyl]benzenesulfonamide
CID 43681895

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]benzenesulfonamide (CID 60972429) is 4-[1-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]benzenesulfonamide is CC(NC(C)c1ccn[nH]1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]benzenesulfonamide?
The InChIKey is WWSPXOHECUXFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-9(16-10(2)13-7-8-15-17-13)11-3-5-12(6-4-11)20(14,18)19/h3-10,16H,1-2H3,(H,15,17)(H2,14,18,19).
What are the key properties of 4-[1-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]benzenesulfonamide?
4-[1-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 60972429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).