N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]ethanesulfonamide

C12H15N3O2S — CID 110732607

IUPACN-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2cc(C)[nH]n2)cc1
InChIInChI=1S/C12H15N3O2S/c1-3-18(16,17)15-11-6-4-10(5-7-11)12-8-9(2)13-14-12/h4-8,15H,3H2,1-2H3,(H,13,14)
InChIKeyDGPTUDIZELXSTP-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.15
Rot. Bonds4

About N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]ethanesulfonamide

N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]ethanesulfonamide (PubChem CID 110732607) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]ethanesulfonamide
PubChem CID110732607
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2cc(C)[nH]n2)cc1
InChIInChI=1S/C12H15N3O2S/c1-3-18(16,17)15-11-6-4-10(5-7-11)12-8-9(2)13-14-12/h4-8,15H,3H2,1-2H3,(H,13,14)
InChIKeyDGPTUDIZELXSTP-UHFFFAOYSA-N
XLogP2.15
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide
CID 110732614
4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide
CID 110732621
N-[4-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
CID 110720243
N-(4-iodo-3-methylphenyl)ethanesulfonamide
CID 57319537
3-(4-bromophenyl)-5-methyl-1H-pyrazole
CID 1487504
[4-(5-methyl-1H-pyrazol-3-yl)phenyl]methanamine
CID 82468594
N-[4-[3-(4-chlorophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]ethanesulfonamide
CID 130192882
N-[4-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide
CID 110720244
methyl 4-(5-methyl-1H-pyrazol-3-yl)benzoate
CID 21023715
ethane;5-methyl-3-phenyl-1H-pyrazole
CID 144662756
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
N-(4-ethylphenyl)ethanesulfonamide
CID 896511

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]ethanesulfonamide (CID 110732607) is N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(-c2cc(C)[nH]n2)cc1.
What is the InChIKey of N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]ethanesulfonamide?
The InChIKey is DGPTUDIZELXSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-18(16,17)15-11-6-4-10(5-7-11)12-8-9(2)13-14-12/h4-8,15H,3H2,1-2H3,(H,13,14).
What are the key properties of N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]ethanesulfonamide?
N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]ethanesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 110732607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).