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

C11H13N3O2S — CID 60748747

IUPACN-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C11H13N3O2S/c1-2-17(15,16)14-10-5-3-4-9(8-10)11-6-7-12-13-11/h3-8,14H,2H2,1H3,(H,12,13)
InChIKeyKLDMMLNEFDSMGB-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.84
Rot. Bonds4

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

N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide (PubChem CID 60748747) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide
PubChem CID60748747
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C11H13N3O2S/c1-2-17(15,16)14-10-5-3-4-9(8-10)11-6-7-12-13-11/h3-8,14H,2H2,1H3,(H,12,13)
InChIKeyKLDMMLNEFDSMGB-UHFFFAOYSA-N
XLogP1.84
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propane-1-sulfonamide
CID 63287844
2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]propane-2-sulfonamide
CID 55231822
N-tert-butyl-3-(1H-pyrazol-5-yl)aniline
CID 58709859
N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide
CID 110735632
N-pentyl-3-(1H-pyrazol-5-yl)aniline
CID 43745298
4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 39330217
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359
4-methoxy-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 47062849
N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline
CID 63945913
N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745380
N'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine
CID 107445250
N-heptan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745296

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide (CID 60748747) is N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide?
The InChIKey is KLDMMLNEFDSMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-2-17(15,16)14-10-5-3-4-9(8-10)11-6-7-12-13-11/h3-8,14H,2H2,1H3,(H,12,13).
What are the key properties of N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide?
N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide has a molecular weight of 251.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 60748747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).