N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C19H17F3N4O3S — CID 4880016

IUPACN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cn2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C19H17F3N4O3S/c1-25(15-7-3-2-4-8-15)30(28,29)16-9-5-6-14(12-16)23-18(27)13-26-11-10-17(24-26)19(20,21)22/h2-12H,13H2,1H3,(H,23,27)
InChIKeySZXGFMUSLAKRRI-UHFFFAOYSA-N
MW438.43 g/mol
LogP3.37
Rot. Bonds6

About N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 4880016) has the molecular formula C19H17F3N4O3S and a molecular weight of 438.43 g/mol. Its IUPAC name is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID4880016
Molecular FormulaC19H17F3N4O3S
Molecular Weight438.43 g/mol
Exact Mass438.10
IUPAC NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cn2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C19H17F3N4O3S/c1-25(15-7-3-2-4-8-15)30(28,29)16-9-5-6-14(12-16)23-18(27)13-26-11-10-17(24-26)19(20,21)22/h2-12H,13H2,1H3,(H,23,27)
InChIKeySZXGFMUSLAKRRI-UHFFFAOYSA-N
XLogP3.37
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
N-[3-(methylcarbamoylamino)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 36825341
1-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 78889852
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 35559988
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26521141
N-[3-(methoxymethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 33288169
2-(3-methyl-2-oxo-1-pyridinyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 56510143
N-(3-cyanophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9245501
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8930825
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 56508223
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 9467923
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4881187

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 4880016) is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cn2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is SZXGFMUSLAKRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3S/c1-25(15-7-3-2-4-8-15)30(28,29)16-9-5-6-14(12-16)23-18(27)13-26-11-10-17(24-26)19(20,21)22/h2-12H,13H2,1H3,(H,23,27).
What are the key properties of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 438.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 4880016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).