N-[2-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanesulfonamide

C12H16N4O2S — CID 54881791

IUPACN-[2-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanesulfonamide
SMILESCC(Nc1ccccc1NS(C)(=O)=O)c1ccn[nH]1
InChIInChI=1S/C12H16N4O2S/c1-9(10-7-8-13-15-10)14-11-5-3-4-6-12(11)16-19(2,17)18/h3-9,14,16H,1-2H3,(H,13,15)
InChIKeyDEISQBYIWWEUNP-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.95
Rot. Bonds5

About N-[2-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanesulfonamide

N-[2-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanesulfonamide (PubChem CID 54881791) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[2-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanesulfonamide
PubChem CID54881791
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-[2-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanesulfonamide
SMILESCC(Nc1ccccc1NS(C)(=O)=O)c1ccn[nH]1
InChIInChI=1S/C12H16N4O2S/c1-9(10-7-8-13-15-10)14-11-5-3-4-6-12(11)16-19(2,17)18/h3-9,14,16H,1-2H3,(H,13,15)
InChIKeyDEISQBYIWWEUNP-UHFFFAOYSA-N
XLogP1.95
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 54881549
2,5-dimethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60973136
N-[4-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]ethanesulfonamide
CID 60972556
N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]methanesulfonamide
CID 43744105
N-[1-(1H-pyrazol-5-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline
CID 60971669
5-chloro-2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60971531
N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]methanesulfonamide
CID 83119346
2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60972171
N-[2-(3-methylpentan-2-ylamino)phenyl]methanesulfonamide
CID 43743986
N-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide
CID 107354221
4-bromo-2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 81291827
N-[1-(1H-pyrazol-5-yl)ethyl]ethenesulfonamide
CID 167789513

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanesulfonamide (CID 54881791) is N-[2-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanesulfonamide is CC(Nc1ccccc1NS(C)(=O)=O)c1ccn[nH]1.
What is the InChIKey of N-[2-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanesulfonamide?
The InChIKey is DEISQBYIWWEUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9(10-7-8-13-15-10)14-11-5-3-4-6-12(11)16-19(2,17)18/h3-9,14,16H,1-2H3,(H,13,15).
What are the key properties of N-[2-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanesulfonamide?
N-[2-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1H-pyrazol-5-yl)ethylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 54881791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).