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

C39H39Cl2FN8O7S2 — CID 159624062

IUPAC2-(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
SMILESCOCCn1cc(-c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2S(N)(=O)=O)cn1.Cc1cc(-c2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)n(C)n1
InChIInChI=1S/C20H20ClFN4O4S.C19H19ClN4O3S/c1-30-8-7-26-12-13(11-24-26)15-6-5-14(9-19(15)31(23,28)29)25-20(27)10-16-17(21)3-2-4-18(16)22;1-12-9-17(24(2)23-12)15-8-7-14(11-18(15)28(21,26)27)22-19(25)10-13-5-3-4-6-16(13)20/h2-6,9,11-12H,7-8,10H2,1H3,(H,25,27)(H2,23,28,29);3-9,11H,10H2,1-2H3,(H,22,25)(H2,21,26,27)
InChIKeyMOGKQCIPWMDAMO-UHFFFAOYSA-N
MW885.83 g/mol
LogP5.70
Rot. Bonds13

About 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

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 (PubChem CID 159624062) has the molecular formula C39H39Cl2FN8O7S2 and a molecular weight of 885.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID159624062
Molecular FormulaC39H39Cl2FN8O7S2
Molecular Weight885.83 g/mol
Exact Mass884.17
IUPAC Name2-(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
SMILESCOCCn1cc(-c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2S(N)(=O)=O)cn1.Cc1cc(-c2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)n(C)n1
InChIInChI=1S/C20H20ClFN4O4S.C19H19ClN4O3S/c1-30-8-7-26-12-13(11-24-26)15-6-5-14(9-19(15)31(23,28)29)25-20(27)10-16-17(21)3-2-4-18(16)22;1-12-9-17(24(2)23-12)15-8-7-14(11-18(15)28(21,26)27)22-19(25)10-13-5-3-4-6-16(13)20/h2-6,9,11-12H,7-8,10H2,1H3,(H,25,27)(H2,23,28,29);3-9,11H,10H2,1-2H3,(H,22,25)(H2,21,26,27)
InChIKeyMOGKQCIPWMDAMO-UHFFFAOYSA-N
XLogP5.70
TPSA223.39 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500885.83
LogP ≤ 55.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 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 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-cyclopropylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide;N-[4-(1-cyclopentylpyrazol-4-yl)-3-sulfamoylphenyl]-2-(2-fluorophenyl)acetamide
CID 159420717
2-(2-chloro-6-fluorophenyl)-N-[4-[(6-fluoro-3-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide
CID 164596481
2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide
CID 164596484
2-(2-chloro-6-fluorophenyl)-N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]-3-sulfamoylphenyl]acetamide
CID 164596477
2-(2-chloro-6-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 26906989
tert-butyl 4-[4-[[2-(2-chlorophenyl)acetyl]amino]-2-(2-methoxyethoxy)phenyl]pyrazole-1-carboxylate
CID 90178141
2-(2-chlorophenyl)-N-[4-(hydroxymethyl)-3-sulfamoylphenyl]acetamide
CID 167200814
2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
CID 163830202
2-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9165979
4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide
CID 134604003
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 9106527
2-(2-chloro-6-fluorophenyl)-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 35332134

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCn1cc(-c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2S(N)(=O)=O)cn1.Cc1cc(-c2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)n(C)n1.
What is the InChIKey of 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?
The InChIKey is MOGKQCIPWMDAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O4S.C19H19ClN4O3S/c1-30-8-7-26-12-13(11-24-26)15-6-5-14(9-19(15)31(23,28)29)25-20(27)10-16-17(21)3-2-4-18(16)22;1-12-9-17(24(2)23-12)15-8-7-14(11-18(15)28(21,26)27)22-19(25)10-13-5-3-4-6-16(13)20/h2-6,9,11-12H,7-8,10H2,1H3,(H,25,27)(H2,23,28,29);3-9,11H,10H2,1-2H3,(H,22,25)(H2,21,26,27).
What are the key properties of 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?
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 has a molecular weight of 885.83 g/mol, XLogP of 5.70, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159624062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).