2-(2-chlorophenyl)-N-[4-(4-cyano-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide

C36H27Cl2F2N7O6S4 — CID 161293310

IUPAC2-(2-chlorophenyl)-N-[4-(4-cyano-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
SMILESN#Cc1csc(-c2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)n1.NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1cnc(C(F)F)s1
InChIInChI=1S/C18H14ClF2N3O3S2.C18H13ClN4O3S2/c19-13-4-2-1-3-10(13)7-16(25)24-11-5-6-12(15(8-11)29(22,26)27)14-9-23-18(28-14)17(20)21;19-15-4-2-1-3-11(15)7-17(24)22-12-5-6-14(16(8-12)28(21,25)26)18-23-13(9-20)10-27-18/h1-6,8-9,17H,7H2,(H,24,25)(H2,22,26,27);1-6,8,10H,7H2,(H,22,24)(H2,21,25,26)
InChIKeyVGQJTRFBPVRRJK-UHFFFAOYSA-N
MW890.82 g/mol
LogP7.39
Rot. Bonds11

About 2-(2-chlorophenyl)-N-[4-(4-cyano-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide

2-(2-chlorophenyl)-N-[4-(4-cyano-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide (PubChem CID 161293310) has the molecular formula C36H27Cl2F2N7O6S4 and a molecular weight of 890.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-(4-cyano-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-(4-cyano-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
PubChem CID161293310
Molecular FormulaC36H27Cl2F2N7O6S4
Molecular Weight890.82 g/mol
Exact Mass889.03
IUPAC Name2-(2-chlorophenyl)-N-[4-(4-cyano-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
SMILESN#Cc1csc(-c2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)n1.NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1cnc(C(F)F)s1
InChIInChI=1S/C18H14ClF2N3O3S2.C18H13ClN4O3S2/c19-13-4-2-1-3-10(13)7-16(25)24-11-5-6-12(15(8-11)29(22,26)27)14-9-23-18(28-14)17(20)21;19-15-4-2-1-3-11(15)7-17(24)22-12-5-6-14(16(8-12)28(21,25)26)18-23-13(9-20)10-27-18/h1-6,8-9,17H,7H2,(H,24,25)(H2,22,26,27);1-6,8,10H,7H2,(H,22,24)(H2,21,25,26)
InChIKeyVGQJTRFBPVRRJK-UHFFFAOYSA-N
XLogP7.39
TPSA228.09 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500890.82
LogP ≤ 57.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-(4-cyano-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-(4-cyano-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide (CID 161293310) is 2-(2-chlorophenyl)-N-[4-(4-cyano-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-(4-cyano-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-(4-cyano-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide is N#Cc1csc(-c2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)(=O)=O)n1.NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1cnc(C(F)F)s1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-(4-cyano-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide?
The InChIKey is VGQJTRFBPVRRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O3S2.C18H13ClN4O3S2/c19-13-4-2-1-3-10(13)7-16(25)24-11-5-6-12(15(8-11)29(22,26)27)14-9-23-18(28-14)17(20)21;19-15-4-2-1-3-11(15)7-17(24)22-12-5-6-14(16(8-12)28(21,25)26)18-23-13(9-20)10-27-18/h1-6,8-9,17H,7H2,(H,24,25)(H2,22,26,27);1-6,8,10H,7H2,(H,22,24)(H2,21,25,26).
What are the key properties of 2-(2-chlorophenyl)-N-[4-(4-cyano-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide?
2-(2-chlorophenyl)-N-[4-(4-cyano-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide has a molecular weight of 890.82 g/mol, XLogP of 7.39, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-(4-cyano-1,3-thiazol-2-yl)-3-sulfamoylphenyl]acetamide;2-(2-chlorophenyl)-N-[4-[2-(difluoromethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide is sourced from PubChem (CID 161293310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).