N-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]ethanesulfonamide

C13H18N4O2S — CID 60972556

IUPACN-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NC(C)c2ccn[nH]2)cc1
InChIInChI=1S/C13H18N4O2S/c1-3-20(18,19)17-12-6-4-11(5-7-12)15-10(2)13-8-9-14-16-13/h4-10,15,17H,3H2,1-2H3,(H,14,16)
InChIKeyUGCFKYWIQPRAII-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.34
Rot. Bonds6

About N-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]ethanesulfonamide

N-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]ethanesulfonamide (PubChem CID 60972556) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]ethanesulfonamide
PubChem CID60972556
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NC(C)c2ccn[nH]2)cc1
InChIInChI=1S/C13H18N4O2S/c1-3-20(18,19)17-12-6-4-11(5-7-12)15-10(2)13-8-9-14-16-13/h4-10,15,17H,3H2,1-2H3,(H,14,16)
InChIKeyUGCFKYWIQPRAII-UHFFFAOYSA-N
XLogP2.34
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfanyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60971775
4-[1-(1H-pyrazol-5-yl)ethylamino]benzonitrile
CID 60972524
N,N-dimethyl-2-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]acetamide
CID 60971929
N-propan-2-yl-4-[1-(1H-pyrazol-5-yl)ethylamino]benzamide
CID 60971796
N-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]cyclopropanecarboxamide
CID 60971782
3-iodo-4-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60972545
N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-5-amine
CID 107587588
N-[2-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanesulfonamide
CID 54881791
N-[4-(1-cyclopropylethylamino)phenyl]ethanesulfonamide
CID 54866252
N-[4-[1-(1H-indazol-5-ylamino)ethyl]phenyl]ethanesulfonamide
CID 75516896
3-fluoro-5-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 79055182
N-[3-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]propanamide
CID 54881184

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]ethanesulfonamide (CID 60972556) is N-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(NC(C)c2ccn[nH]2)cc1.
What is the InChIKey of N-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]ethanesulfonamide?
The InChIKey is UGCFKYWIQPRAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-3-20(18,19)17-12-6-4-11(5-7-12)15-10(2)13-8-9-14-16-13/h4-10,15,17H,3H2,1-2H3,(H,14,16).
What are the key properties of N-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]ethanesulfonamide?
N-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]ethanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]ethanesulfonamide is sourced from PubChem (CID 60972556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).