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

C36H28ClF2N11O6S2 — CID 161261892

IUPAC2-(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
SMILESN#Cc1cnn(-c2ccc(NC(=O)Cc3ccc(C(F)F)cc3)cc2S(N)(=O)=O)c1.N#Cc1cnn(-c2ccc(NC(=O)Cc3ccncc3Cl)cc2S(N)(=O)=O)c1
InChIInChI=1S/C19H15F2N5O3S.C17H13ClN6O3S/c20-19(21)14-3-1-12(2-4-14)7-18(27)25-15-5-6-16(17(8-15)30(23,28)29)26-11-13(9-22)10-24-26;18-14-9-21-4-3-12(14)5-17(25)23-13-1-2-15(16(6-13)28(20,26)27)24-10-11(7-19)8-22-24/h1-6,8,10-11,19H,7H2,(H,25,27)(H2,23,28,29);1-4,6,8-10H,5H2,(H,23,25)(H2,20,26,27)
InChIKeyVCQVPDREGQJVIV-UHFFFAOYSA-N
MW848.27 g/mol
LogP4.13
Rot. Bonds11

About 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

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 (PubChem CID 161261892) has the molecular formula C36H28ClF2N11O6S2 and a molecular weight of 848.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID161261892
Molecular FormulaC36H28ClF2N11O6S2
Molecular Weight848.27 g/mol
Exact Mass847.13
IUPAC Name2-(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
SMILESN#Cc1cnn(-c2ccc(NC(=O)Cc3ccc(C(F)F)cc3)cc2S(N)(=O)=O)c1.N#Cc1cnn(-c2ccc(NC(=O)Cc3ccncc3Cl)cc2S(N)(=O)=O)c1
InChIInChI=1S/C19H15F2N5O3S.C17H13ClN6O3S/c20-19(21)14-3-1-12(2-4-14)7-18(27)25-15-5-6-16(17(8-15)30(23,28)29)26-11-13(9-22)10-24-26;18-14-9-21-4-3-12(14)5-17(25)23-13-1-2-15(16(6-13)28(20,26)27)24-10-11(7-19)8-22-24/h1-6,8,10-11,19H,7H2,(H,25,27)(H2,23,28,29);1-4,6,8-10H,5H2,(H,23,25)(H2,20,26,27)
InChIKeyVCQVPDREGQJVIV-UHFFFAOYSA-N
XLogP4.13
TPSA274.63 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.27
LogP ≤ 54.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1cnn(-c2ccc(NC(=O)Cc3ccc(C(F)F)cc3)cc2S(N)(=O)=O)c1.N#Cc1cnn(-c2ccc(NC(=O)Cc3ccncc3Cl)cc2S(N)(=O)=O)c1.
What is the InChIKey of 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?
The InChIKey is VCQVPDREGQJVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O3S.C17H13ClN6O3S/c20-19(21)14-3-1-12(2-4-14)7-18(27)25-15-5-6-16(17(8-15)30(23,28)29)26-11-13(9-22)10-24-26;18-14-9-21-4-3-12(14)5-17(25)23-13-1-2-15(16(6-13)28(20,26)27)24-10-11(7-19)8-22-24/h1-6,8,10-11,19H,7H2,(H,25,27)(H2,23,28,29);1-4,6,8-10H,5H2,(H,23,25)(H2,20,26,27).
What are the key properties of 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?
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 has a molecular weight of 848.27 g/mol, XLogP of 4.13, 11 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161261892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).