N-[4-[1-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]ethanesulfonamide

C16H24N4O2S — CID 75428354

IUPACN-[4-[1-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(C)NC(C)c2cnn(C)c2)cc1
InChIInChI=1S/C16H24N4O2S/c1-5-23(21,22)19-16-8-6-14(7-9-16)12(2)18-13(3)15-10-17-20(4)11-15/h6-13,18-19H,5H2,1-4H3
InChIKeyULRRNDCKNCHRFX-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.59
Rot. Bonds7

About N-[4-[1-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]ethanesulfonamide

N-[4-[1-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]ethanesulfonamide (PubChem CID 75428354) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[4-[1-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]ethanesulfonamide
PubChem CID75428354
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-[4-[1-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(C)NC(C)c2cnn(C)c2)cc1
InChIInChI=1S/C16H24N4O2S/c1-5-23(21,22)19-16-8-6-14(7-9-16)12(2)18-13(3)15-10-17-20(4)11-15/h6-13,18-19H,5H2,1-4H3
InChIKeyULRRNDCKNCHRFX-UHFFFAOYSA-N
XLogP2.59
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[1-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]ethanesulfonamide (CID 75428354) is N-[4-[1-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[1-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[1-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C(C)NC(C)c2cnn(C)c2)cc1.
What is the InChIKey of N-[4-[1-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]ethanesulfonamide?
The InChIKey is ULRRNDCKNCHRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-5-23(21,22)19-16-8-6-14(7-9-16)12(2)18-13(3)15-10-17-20(4)11-15/h6-13,18-19H,5H2,1-4H3.
What are the key properties of N-[4-[1-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]ethanesulfonamide?
N-[4-[1-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]ethanesulfonamide has a molecular weight of 336.46 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 75428354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).