2-(2-chlorophenyl)-N-[3-sulfinamoyl-4-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide

C19H16ClF3N4O2S — CID 155063475

IUPAC2-(2-chlorophenyl)-N-[3-sulfinamoyl-4-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide
SMILESNS(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1-n1cc(CC(F)(F)F)cn1
InChIInChI=1S/C19H16ClF3N4O2S/c20-15-4-2-1-3-13(15)7-18(28)26-14-5-6-16(17(8-14)30(24)29)27-11-12(10-25-27)9-19(21,22)23/h1-6,8,10-11H,7,9,24H2,(H,26,28)
InChIKeyQTRISRJNGHYYLG-UHFFFAOYSA-N
MW456.88 g/mol
LogP3.79
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[3-sulfinamoyl-4-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide

2-(2-chlorophenyl)-N-[3-sulfinamoyl-4-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide (PubChem CID 155063475) has the molecular formula C19H16ClF3N4O2S and a molecular weight of 456.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-sulfinamoyl-4-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-sulfinamoyl-4-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide
PubChem CID155063475
Molecular FormulaC19H16ClF3N4O2S
Molecular Weight456.88 g/mol
Exact Mass456.06
IUPAC Name2-(2-chlorophenyl)-N-[3-sulfinamoyl-4-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide
SMILESNS(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1-n1cc(CC(F)(F)F)cn1
InChIInChI=1S/C19H16ClF3N4O2S/c20-15-4-2-1-3-13(15)7-18(28)26-14-5-6-16(17(8-14)30(24)29)27-11-12(10-25-27)9-19(21,22)23/h1-6,8,10-11H,7,9,24H2,(H,26,28)
InChIKeyQTRISRJNGHYYLG-UHFFFAOYSA-N
XLogP3.79
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.88
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-bromopyrazol-1-yl)-3-sulfinamoylphenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 155485703
2-(2-chloro-4,5-difluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]acetamide
CID 155485783
2-(2-chlorophenyl)-N-[4-(5-methyl-1-phenylpyrazol-4-yl)-3-sulfinamoylphenyl]acetamide
CID 155063343
N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(4-fluorophenyl)acetamide
CID 155063461
5-[[2-(2-bromophenyl)acetyl]amino]-2-(4-fluoropyrazol-1-yl)benzenesulfinic acid
CID 163968896
N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(3,4-difluorophenyl)acetamide
CID 155485807
2-(2-chlorophenyl)-N-[4-[1-(oxetan-3-yl)pyrazol-4-yl]-3-sulfinamoylphenyl]acetamide
CID 155485786
2-(2-chlorophenyl)-N-(3-chloro-5-sulfinamoylisoquinolin-7-yl)acetamide
CID 167215661
5-[[2-(2-ethoxyphenyl)acetyl]amino]-2-(4-fluoropyrazol-1-yl)benzenesulfinate
CID 163848517
2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 18290212
N-(4-amino-3,5-dichlorophenyl)-2-(2-chlorophenyl)acetamide
CID 46665625
N-[4-[4-(2,2-difluoroethyl)pyrazol-1-yl]-3-sulfamoylphenyl]-2-(2-methylphenyl)acetamide
CID 142500015

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-sulfinamoyl-4-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-sulfinamoyl-4-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide (CID 155063475) is 2-(2-chlorophenyl)-N-[3-sulfinamoyl-4-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-sulfinamoyl-4-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-sulfinamoyl-4-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide is NS(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1-n1cc(CC(F)(F)F)cn1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-sulfinamoyl-4-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide?
The InChIKey is QTRISRJNGHYYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4O2S/c20-15-4-2-1-3-13(15)7-18(28)26-14-5-6-16(17(8-14)30(24)29)27-11-12(10-25-27)9-19(21,22)23/h1-6,8,10-11H,7,9,24H2,(H,26,28).
What are the key properties of 2-(2-chlorophenyl)-N-[3-sulfinamoyl-4-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide?
2-(2-chlorophenyl)-N-[3-sulfinamoyl-4-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide has a molecular weight of 456.88 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-sulfinamoyl-4-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 155063475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).