2-(2-chlorophenyl)-N-[4-(1-cyclopropylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide;N-[4-(1-cyclopentylpyrazol-4-yl)-3-sulfamoylphenyl]-2-(2-fluorophenyl)acetamide

C42H42ClFN8O6S2 — CID 159420717

IUPAC2-(2-chlorophenyl)-N-[4-(1-cyclopropylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide;N-[4-(1-cyclopentylpyrazol-4-yl)-3-sulfamoylphenyl]-2-(2-fluorophenyl)acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1cnn(C2CC2)c1.NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2F)ccc1-c1cnn(C2CCCC2)c1
InChIInChI=1S/C22H23FN4O3S.C20H19ClN4O3S/c23-20-8-4-1-5-15(20)11-22(28)26-17-9-10-19(21(12-17)31(24,29)30)16-13-25-27(14-16)18-6-2-3-7-18;21-18-4-2-1-3-13(18)9-20(26)24-15-5-8-17(19(10-15)29(22,27)28)14-11-23-25(12-14)16-6-7-16/h1,4-5,8-10,12-14,18H,2-3,6-7,11H2,(H,26,28)(H2,24,29,30);1-5,8,10-12,16H,6-7,9H2,(H,24,26)(H2,22,27,28)
InChIKeyLPSPTGNKYYVLGA-UHFFFAOYSA-N
MW873.43 g/mol
LogP7.00
Rot. Bonds12

About 2-(2-chlorophenyl)-N-[4-(1-cyclopropylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide;N-[4-(1-cyclopentylpyrazol-4-yl)-3-sulfamoylphenyl]-2-(2-fluorophenyl)acetamide

2-(2-chlorophenyl)-N-[4-(1-cyclopropylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide;N-[4-(1-cyclopentylpyrazol-4-yl)-3-sulfamoylphenyl]-2-(2-fluorophenyl)acetamide (PubChem CID 159420717) has the molecular formula C42H42ClFN8O6S2 and a molecular weight of 873.43 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-(1-cyclopropylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide;N-[4-(1-cyclopentylpyrazol-4-yl)-3-sulfamoylphenyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-(1-cyclopropylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide;N-[4-(1-cyclopentylpyrazol-4-yl)-3-sulfamoylphenyl]-2-(2-fluorophenyl)acetamide
PubChem CID159420717
Molecular FormulaC42H42ClFN8O6S2
Molecular Weight873.43 g/mol
Exact Mass872.23
IUPAC Name2-(2-chlorophenyl)-N-[4-(1-cyclopropylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide;N-[4-(1-cyclopentylpyrazol-4-yl)-3-sulfamoylphenyl]-2-(2-fluorophenyl)acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1cnn(C2CC2)c1.NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2F)ccc1-c1cnn(C2CCCC2)c1
InChIInChI=1S/C22H23FN4O3S.C20H19ClN4O3S/c23-20-8-4-1-5-15(20)11-22(28)26-17-9-10-19(21(12-17)31(24,29)30)16-13-25-27(14-16)18-6-2-3-7-18;21-18-4-2-1-3-13(18)9-20(26)24-15-5-8-17(19(10-15)29(22,27)28)14-11-23-25(12-14)16-6-7-16/h1,4-5,8-10,12-14,18H,2-3,6-7,11H2,(H,26,28)(H2,24,29,30);1-5,8,10-12,16H,6-7,9H2,(H,24,26)(H2,22,27,28)
InChIKeyLPSPTGNKYYVLGA-UHFFFAOYSA-N
XLogP7.00
TPSA214.16 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.43
LogP ≤ 57.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-(2-chlorophenyl)-N-[4-(1-cyclopropylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide;N-[4-(1-cyclopentylpyrazol-4-yl)-3-sulfamoylphenyl]-2-(2-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-N-[4-[1-(oxetan-3-yl)pyrazol-4-yl]-3-sulfinamoylphenyl]acetamide
CID 155485786
2-(2-chloro-6-fluorophenyl)-N-[4-[1-(2-methoxyethyl)pyrazol-4-yl]-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-(2,5-dimethylpyrazol-3-yl)-3-sulfamoylphenyl]acetamide
CID 159624062
2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
CID 163830202
2-(2-chlorophenyl)-N-[4-(hydroxymethyl)-3-sulfamoylphenyl]acetamide
CID 167200814
2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]acetamide
CID 176551637
4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide
CID 134604003
2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide
CID 164596482
2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[4-(1,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide
CID 175573072
2-(2-chlorophenyl)-N-[4-(3-methylpyrrolidine-1-carbonyl)-3-sulfamoylphenyl]acetamide
CID 134588175
2-(2-chlorophenyl)-N-[3-[1-(difluoromethyl)pyrazol-4-yl]-5-sulfamoylphenyl]acetamide
CID 134588333
4-[[2-(2-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfamoylbenzamide
CID 134603951
2-(2-chlorophenyl)-N-[4-[(4,4-difluoro-1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[(1-hydroxycyclohexyl)methoxy]-3-sulfamoylphenyl]acetamide
CID 161277840

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-(1-cyclopropylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide;N-[4-(1-cyclopentylpyrazol-4-yl)-3-sulfamoylphenyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of 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) is 2-(2-chlorophenyl)-N-[4-(1-cyclopropylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide;N-[4-(1-cyclopentylpyrazol-4-yl)-3-sulfamoylphenyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-(1-cyclopropylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide;N-[4-(1-cyclopentylpyrazol-4-yl)-3-sulfamoylphenyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-(1-cyclopropylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide;N-[4-(1-cyclopentylpyrazol-4-yl)-3-sulfamoylphenyl]-2-(2-fluorophenyl)acetamide is NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1cnn(C2CC2)c1.NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2F)ccc1-c1cnn(C2CCCC2)c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-(1-cyclopropylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide;N-[4-(1-cyclopentylpyrazol-4-yl)-3-sulfamoylphenyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is LPSPTGNKYYVLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S.C20H19ClN4O3S/c23-20-8-4-1-5-15(20)11-22(28)26-17-9-10-19(21(12-17)31(24,29)30)16-13-25-27(14-16)18-6-2-3-7-18;21-18-4-2-1-3-13(18)9-20(26)24-15-5-8-17(19(10-15)29(22,27)28)14-11-23-25(12-14)16-6-7-16/h1,4-5,8-10,12-14,18H,2-3,6-7,11H2,(H,26,28)(H2,24,29,30);1-5,8,10-12,16H,6-7,9H2,(H,24,26)(H2,22,27,28).
What are the key properties of 2-(2-chlorophenyl)-N-[4-(1-cyclopropylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide;N-[4-(1-cyclopentylpyrazol-4-yl)-3-sulfamoylphenyl]-2-(2-fluorophenyl)acetamide?
2-(2-chlorophenyl)-N-[4-(1-cyclopropylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide;N-[4-(1-cyclopentylpyrazol-4-yl)-3-sulfamoylphenyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 873.43 g/mol, XLogP of 7.00, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-(1-cyclopropylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide;N-[4-(1-cyclopentylpyrazol-4-yl)-3-sulfamoylphenyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 159420717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).