3-[[2-(1-phenylpyrazol-3-yl)acetyl]amino]benzenesulfonyl fluoride

C17H14FN3O3S — CID 136543123

IUPAC3-[[2-(1-phenylpyrazol-3-yl)acetyl]amino]benzenesulfonyl fluoride
SMILESO=C(Cc1ccn(-c2ccccc2)n1)Nc1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C17H14FN3O3S/c18-25(23,24)16-8-4-5-13(11-16)19-17(22)12-14-9-10-21(20-14)15-6-2-1-3-7-15/h1-11H,12H2,(H,19,22)
InChIKeyZXPDQXSGBFEMPP-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.71
Rot. Bonds5

About 3-[[2-(1-phenylpyrazol-3-yl)acetyl]amino]benzenesulfonyl fluoride

3-[[2-(1-phenylpyrazol-3-yl)acetyl]amino]benzenesulfonyl fluoride (PubChem CID 136543123) has the molecular formula C17H14FN3O3S and a molecular weight of 359.38 g/mol. Its IUPAC name is 3-[[2-(1-phenylpyrazol-3-yl)acetyl]amino]benzenesulfonyl fluoride.

Molecular Properties

Compound Name3-[[2-(1-phenylpyrazol-3-yl)acetyl]amino]benzenesulfonyl fluoride
PubChem CID136543123
Molecular FormulaC17H14FN3O3S
Molecular Weight359.38 g/mol
Exact Mass359.07
IUPAC Name3-[[2-(1-phenylpyrazol-3-yl)acetyl]amino]benzenesulfonyl fluoride
SMILESO=C(Cc1ccn(-c2ccccc2)n1)Nc1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C17H14FN3O3S/c18-25(23,24)16-8-4-5-13(11-16)19-17(22)12-14-9-10-21(20-14)15-6-2-1-3-7-15/h1-11H,12H2,(H,19,22)
InChIKeyZXPDQXSGBFEMPP-UHFFFAOYSA-N
XLogP2.71
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylsulfamoyl)phenyl]-2-[(1-phenylpyrazol-3-yl)amino]acetamide
CID 55816737
N-naphthalen-1-yl-2-(1-phenylpyrazol-3-yl)acetamide
CID 174602284
1-phenyl-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide
CID 38764020
N-[4-(2-methoxyethyl)-2-pyridinyl]-2-(1-phenylpyrazol-3-yl)acetamide
CID 166198652
N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-(1-phenylpyrazol-3-yl)acetamide
CID 166379982
N-(4-tert-butylpyrimidin-2-yl)-2-(1-phenylpyrazol-3-yl)acetamide
CID 166260857
N-(cyclodecapentaenyl)-2-(1-cycloheptylpyrazol-3-yl)acetamide
CID 177025916
2-(2,6-difluorophenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135316122
N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4560229
3-chloro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide
CID 78889859
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4880016
2-(3-methyl-2-oxo-1-pyridinyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 56510143

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-phenylpyrazol-3-yl)acetyl]amino]benzenesulfonyl fluoride?
The IUPAC name of 3-[[2-(1-phenylpyrazol-3-yl)acetyl]amino]benzenesulfonyl fluoride (CID 136543123) is 3-[[2-(1-phenylpyrazol-3-yl)acetyl]amino]benzenesulfonyl fluoride.
What is the SMILES notation for 3-[[2-(1-phenylpyrazol-3-yl)acetyl]amino]benzenesulfonyl fluoride?
The canonical SMILES for 3-[[2-(1-phenylpyrazol-3-yl)acetyl]amino]benzenesulfonyl fluoride is O=C(Cc1ccn(-c2ccccc2)n1)Nc1cccc(S(=O)(=O)F)c1.
What is the InChIKey of 3-[[2-(1-phenylpyrazol-3-yl)acetyl]amino]benzenesulfonyl fluoride?
The InChIKey is ZXPDQXSGBFEMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S/c18-25(23,24)16-8-4-5-13(11-16)19-17(22)12-14-9-10-21(20-14)15-6-2-1-3-7-15/h1-11H,12H2,(H,19,22).
What are the key properties of 3-[[2-(1-phenylpyrazol-3-yl)acetyl]amino]benzenesulfonyl fluoride?
3-[[2-(1-phenylpyrazol-3-yl)acetyl]amino]benzenesulfonyl fluoride has a molecular weight of 359.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-phenylpyrazol-3-yl)acetyl]amino]benzenesulfonyl fluoride is sourced from PubChem (CID 136543123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).