N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(4-fluorophenyl)acetamide

C18H14FN5O2S — CID 155063461

IUPACN-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(4-fluorophenyl)acetamide
SMILESN#Cc1cnn(-c2ccc(NC(=O)Cc3ccc(F)cc3)cc2S(N)=O)c1
InChIInChI=1S/C18H14FN5O2S/c19-14-3-1-12(2-4-14)7-18(25)23-15-5-6-16(17(8-15)27(21)26)24-11-13(9-20)10-22-24/h1-6,8,10-11H,7,21H2,(H,23,25)
InChIKeyCDKXANZRPJIBJB-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.05
Rot. Bonds5

About N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(4-fluorophenyl)acetamide

N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 155063461) has the molecular formula C18H14FN5O2S and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(4-fluorophenyl)acetamide
PubChem CID155063461
Molecular FormulaC18H14FN5O2S
Molecular Weight383.41 g/mol
Exact Mass383.09
IUPAC NameN-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(4-fluorophenyl)acetamide
SMILESN#Cc1cnn(-c2ccc(NC(=O)Cc3ccc(F)cc3)cc2S(N)=O)c1
InChIInChI=1S/C18H14FN5O2S/c19-14-3-1-12(2-4-14)7-18(25)23-15-5-6-16(17(8-15)27(21)26)24-11-13(9-20)10-22-24/h1-6,8,10-11H,7,21H2,(H,23,25)
InChIKeyCDKXANZRPJIBJB-UHFFFAOYSA-N
XLogP2.05
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(3,4-difluorophenyl)acetamide
CID 155485807
2-(2-chloro-4,5-difluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]acetamide
CID 155485783
2-(2-chlorophenyl)-N-[3-sulfinamoyl-4-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide
CID 155063475
2-(2-chloro-5-fluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)phenyl]acetamide
CID 155063465
N-[4-(4-bromopyrazol-1-yl)-3-sulfinamoylphenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 155485703
2-(3-chloro-4-pyridinyl)-N-[4-(4-cyanopyrazol-1-yl)-3-sulfamoylphenyl]acetamide;N-[4-(4-cyanopyrazol-1-yl)-3-sulfamoylphenyl]-2-[4-(difluoromethyl)phenyl]acetamide
CID 161261892
5-[[2-(2-bromophenyl)acetyl]amino]-2-(4-fluoropyrazol-1-yl)benzenesulfinic acid
CID 163968896
5-[[2-(2-ethoxyphenyl)acetyl]amino]-2-(4-fluoropyrazol-1-yl)benzenesulfinate
CID 163848517
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113001924
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide
CID 155063425
N-(3-bromo-4-fluorophenyl)-2-(4-cyanophenyl)acetamide
CID 115661346

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(4-fluorophenyl)acetamide (CID 155063461) is N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(4-fluorophenyl)acetamide is N#Cc1cnn(-c2ccc(NC(=O)Cc3ccc(F)cc3)cc2S(N)=O)c1.
What is the InChIKey of N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is CDKXANZRPJIBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2S/c19-14-3-1-12(2-4-14)7-18(25)23-15-5-6-16(17(8-15)27(21)26)24-11-13(9-20)10-22-24/h1-6,8,10-11H,7,21H2,(H,23,25).
What are the key properties of N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(4-fluorophenyl)acetamide?
N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 383.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 155063461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).