2-(2-chlorophenyl)-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-5-sulfamoylphenyl]acetamide

C18H15ClF2N4O3S — CID 134588333

IUPAC2-(2-chlorophenyl)-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-5-sulfamoylphenyl]acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)cc(-c2cnn(C(F)F)c2)c1
InChIInChI=1S/C18H15ClF2N4O3S/c19-16-4-2-1-3-11(16)7-17(26)24-14-5-12(6-15(8-14)29(22,27)28)13-9-23-25(10-13)18(20)21/h1-6,8-10,18H,7H2,(H,24,26)(H2,22,27,28)
InChIKeySLHQBQSBZWKGPC-UHFFFAOYSA-N
MW440.86 g/mol
LogP3.43
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-5-sulfamoylphenyl]acetamide

2-(2-chlorophenyl)-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-5-sulfamoylphenyl]acetamide (PubChem CID 134588333) has the molecular formula C18H15ClF2N4O3S and a molecular weight of 440.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-5-sulfamoylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-5-sulfamoylphenyl]acetamide
PubChem CID134588333
Molecular FormulaC18H15ClF2N4O3S
Molecular Weight440.86 g/mol
Exact Mass440.05
IUPAC Name2-(2-chlorophenyl)-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-5-sulfamoylphenyl]acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)cc(-c2cnn(C(F)F)c2)c1
InChIInChI=1S/C18H15ClF2N4O3S/c19-16-4-2-1-3-11(16)7-17(26)24-14-5-12(6-15(8-14)29(22,27)28)13-9-23-25(10-13)18(20)21/h1-6,8-10,18H,7H2,(H,24,26)(H2,22,27,28)
InChIKeySLHQBQSBZWKGPC-UHFFFAOYSA-N
XLogP3.43
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.86
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-N-[3-(5-chloro-3-pyridinyl)-5-sulfamoylphenyl]acetamide
CID 134588591
N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
CID 172630093
2-(2-chlorophenyl)-N-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]acetamide;formamide
CID 172629982
2-(2-chlorophenyl)-N-(3-methylsulfonyl-5-pyrazolo[1,5-a]pyrazin-3-ylphenyl)acetamide
CID 172630017
N-(4-amino-3,5-dichlorophenyl)-2-(2-chlorophenyl)acetamide
CID 46665625
2-(2-chlorophenyl)-N-(3-chloro-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572300
2-(2-chlorophenyl)-N-[4-(1-cyclopropylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide;N-[4-(1-cyclopentylpyrazol-4-yl)-3-sulfamoylphenyl]-2-(2-fluorophenyl)acetamide
CID 159420717
2-(2-chlorophenyl)-N-[4-(hydroxymethyl)-3-sulfamoylphenyl]acetamide
CID 167200814
2-(2-chlorophenyl)-N-(3-pyridin-3-yl-5-sulfinamoylphenyl)acetamide
CID 134594581
2-(2-chlorophenyl)-N-(2-pyrazol-1-yl-5-sulfamoylquinolin-7-yl)acetamide
CID 156572250
2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
CID 163830202
2-chloro-N-(3-fluoro-5-sulfamoylphenyl)benzamide
CID 61132724

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-5-sulfamoylphenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-5-sulfamoylphenyl]acetamide (CID 134588333) is 2-(2-chlorophenyl)-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-5-sulfamoylphenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-5-sulfamoylphenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-5-sulfamoylphenyl]acetamide is NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)cc(-c2cnn(C(F)F)c2)c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-5-sulfamoylphenyl]acetamide?
The InChIKey is SLHQBQSBZWKGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N4O3S/c19-16-4-2-1-3-11(16)7-17(26)24-14-5-12(6-15(8-14)29(22,27)28)13-9-23-25(10-13)18(20)21/h1-6,8-10,18H,7H2,(H,24,26)(H2,22,27,28).
What are the key properties of 2-(2-chlorophenyl)-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-5-sulfamoylphenyl]acetamide?
2-(2-chlorophenyl)-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-5-sulfamoylphenyl]acetamide has a molecular weight of 440.86 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-5-sulfamoylphenyl]acetamide is sourced from PubChem (CID 134588333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).