N-[3-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]ethanesulfonamide

C12H15N3O3S — CID 18756437

IUPACN-[3-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-n2[nH]c(C)cc2=O)c1
InChIInChI=1S/C12H15N3O3S/c1-3-19(17,18)14-10-5-4-6-11(8-10)15-12(16)7-9(2)13-15/h4-8,13-14H,3H2,1-2H3
InChIKeyHTGCVQOOMOTRCN-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.24
Rot. Bonds4

About N-[3-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]ethanesulfonamide

N-[3-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]ethanesulfonamide (PubChem CID 18756437) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-[3-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]ethanesulfonamide
PubChem CID18756437
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-[3-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-n2[nH]c(C)cc2=O)c1
InChIInChI=1S/C12H15N3O3S/c1-3-19(17,18)14-10-5-4-6-11(8-10)15-12(16)7-9(2)13-15/h4-8,13-14H,3H2,1-2H3
InChIKeyHTGCVQOOMOTRCN-UHFFFAOYSA-N
XLogP1.24
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide
CID 7636261
N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]ethanesulfonamide
CID 46041032
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propane-1-sulfonamide
CID 110352271
N-[3-[1-(3,5-difluorophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]ethanesulfonamide
CID 71543079
N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide
CID 110735632
N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide
CID 60748747
N-(2-methyl-1,3-dioxoisoindol-5-yl)ethanesulfonamide
CID 60656195
N-[3-(1,5-dimethyl-4-oxopyridazin-3-yl)phenyl]ethanesulfonamide
CID 172747956
N-[3-(dimethoxymethyl)phenyl]ethanesulfonamide
CID 168924991
2-(3-amino-4-bromophenyl)-5-methyl-1H-pyrazol-3-one
CID 82379581
4-[4-[3-(ethylsulfonylamino)phenyl]-3-methyl-6-oxopyridazin-1-yl]benzoic acid
CID 71541962
methyl 2-[2-(3-anilinophenyl)-3-oxo-1H-pyrazol-5-yl]acetate
CID 118996573

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]ethanesulfonamide (CID 18756437) is N-[3-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(-n2[nH]c(C)cc2=O)c1.
What is the InChIKey of N-[3-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]ethanesulfonamide?
The InChIKey is HTGCVQOOMOTRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-3-19(17,18)14-10-5-4-6-11(8-10)15-12(16)7-9(2)13-15/h4-8,13-14H,3H2,1-2H3.
What are the key properties of N-[3-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]ethanesulfonamide?
N-[3-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]ethanesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 18756437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).