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

C18H13F2N5O2S — CID 155485807

IUPACN-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(3,4-difluorophenyl)acetamide
SMILESN#Cc1cnn(-c2ccc(NC(=O)Cc3ccc(F)c(F)c3)cc2S(N)=O)c1
InChIInChI=1S/C18H13F2N5O2S/c19-14-3-1-11(5-15(14)20)6-18(26)24-13-2-4-16(17(7-13)28(22)27)25-10-12(8-21)9-23-25/h1-5,7,9-10H,6,22H2,(H,24,26)
InChIKeyUSVNIPHUBQBSGJ-UHFFFAOYSA-N
MW401.40 g/mol
LogP2.18
Rot. Bonds5

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

N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(3,4-difluorophenyl)acetamide (PubChem CID 155485807) has the molecular formula C18H13F2N5O2S and a molecular weight of 401.40 g/mol. Its IUPAC name is N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(3,4-difluorophenyl)acetamide
PubChem CID155485807
Molecular FormulaC18H13F2N5O2S
Molecular Weight401.40 g/mol
Exact Mass401.08
IUPAC NameN-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(3,4-difluorophenyl)acetamide
SMILESN#Cc1cnn(-c2ccc(NC(=O)Cc3ccc(F)c(F)c3)cc2S(N)=O)c1
InChIInChI=1S/C18H13F2N5O2S/c19-14-3-1-11(5-15(14)20)6-18(26)24-13-2-4-16(17(7-13)28(22)27)25-10-12(8-21)9-23-25/h1-5,7,9-10H,6,22H2,(H,24,26)
InChIKeyUSVNIPHUBQBSGJ-UHFFFAOYSA-N
XLogP2.18
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(4-fluorophenyl)acetamide
CID 155063461
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
N-[4-(4-bromopyrazol-1-yl)-3-sulfinamoylphenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 155485703
N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide
CID 155063425
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
2-(2-chloro-5-fluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)phenyl]acetamide
CID 155063465
5-[[2-(2-bromophenyl)acetyl]amino]-2-(4-fluoropyrazol-1-yl)benzenesulfinic acid
CID 163968896
N-(3-bromo-4-fluorophenyl)-2-(4-cyanophenyl)acetamide
CID 115661346
2-[4-(aminomethyl)phenyl]-N-[4-(4-fluoropyrazol-1-yl)-3-sulfamoylphenyl]acetamide
CID 174942864
2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide
CID 106909849
N-(4-amino-3-bromophenyl)-2-(3,4-difluorophenyl)acetamide
CID 82861408

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(3,4-difluorophenyl)acetamide (CID 155485807) is N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(3,4-difluorophenyl)acetamide is N#Cc1cnn(-c2ccc(NC(=O)Cc3ccc(F)c(F)c3)cc2S(N)=O)c1.
What is the InChIKey of N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(3,4-difluorophenyl)acetamide?
The InChIKey is USVNIPHUBQBSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O2S/c19-14-3-1-11(5-15(14)20)6-18(26)24-13-2-4-16(17(7-13)28(22)27)25-10-12(8-21)9-23-25/h1-5,7,9-10H,6,22H2,(H,24,26).
What are the key properties of N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(3,4-difluorophenyl)acetamide?
N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(3,4-difluorophenyl)acetamide has a molecular weight of 401.40 g/mol, XLogP of 2.18, 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-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 155485807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).