2-(2-chlorophenyl)-N-[4-[4-(difluoromethyl)triazol-2-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide

C26H24ClF2N5O5S — CID 165379987

IUPAC2-(2-chlorophenyl)-N-[4-[4-(difluoromethyl)triazol-2-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(NC(=O)Cc3ccccc3Cl)ccc2-n2ncc(C(F)F)n2)c(OC)c1
InChIInChI=1S/C26H24ClF2N5O5S/c1-38-19-9-7-17(23(13-19)39-2)14-31-40(36,37)24-12-18(32-25(35)11-16-5-3-4-6-20(16)27)8-10-22(24)34-30-15-21(33-34)26(28)29/h3-10,12-13,15,26,31H,11,14H2,1-2H3,(H,32,35)
InChIKeyMQKSEGBUMFECPH-UHFFFAOYSA-N
MW592.02 g/mol
LogP4.54
Rot. Bonds11

About 2-(2-chlorophenyl)-N-[4-[4-(difluoromethyl)triazol-2-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide

2-(2-chlorophenyl)-N-[4-[4-(difluoromethyl)triazol-2-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide (PubChem CID 165379987) has the molecular formula C26H24ClF2N5O5S and a molecular weight of 592.02 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-[4-(difluoromethyl)triazol-2-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-[4-(difluoromethyl)triazol-2-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide
PubChem CID165379987
Molecular FormulaC26H24ClF2N5O5S
Molecular Weight592.02 g/mol
Exact Mass591.12
IUPAC Name2-(2-chlorophenyl)-N-[4-[4-(difluoromethyl)triazol-2-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(NC(=O)Cc3ccccc3Cl)ccc2-n2ncc(C(F)F)n2)c(OC)c1
InChIInChI=1S/C26H24ClF2N5O5S/c1-38-19-9-7-17(23(13-19)39-2)14-31-40(36,37)24-12-18(32-25(35)11-16-5-3-4-6-20(16)27)8-10-22(24)34-30-15-21(33-34)26(28)29/h3-10,12-13,15,26,31H,11,14H2,1-2H3,(H,32,35)
InChIKeyMQKSEGBUMFECPH-UHFFFAOYSA-N
XLogP4.54
TPSA124.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.02
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(2-chlorophenyl)-N-[4-[4-(difluoromethyl)triazol-2-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

[2-[4-[[2-(2-chlorophenyl)acetyl]amino]-2-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-1,3-dihydropyrazol-4-yl] carbamate
CID 175823644
2-(2-chlorophenyl)-N-[4-(3-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 138559668
N-[4-[4-(3,3-difluoropropyl)pyrazol-1-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide
CID 158743261
N-[4-(5-cyclopropyl-3-methyl-3,4-dihydropyrazol-2-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-methylphenyl)acetamide
CID 142500041
2-[4-(4-aminopyrazol-1-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-chlorophenyl)acetamide
CID 175263434
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 55364569
2-[4-(2,2-difluoroethylamino)pyrazol-1-yl]-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
CID 149117854
N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylbenzenesulfonamide
CID 175751815
N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 110780745
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
N-[4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 9427797

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-[4-(difluoromethyl)triazol-2-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-[4-(difluoromethyl)triazol-2-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide (CID 165379987) is 2-(2-chlorophenyl)-N-[4-[4-(difluoromethyl)triazol-2-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-[4-(difluoromethyl)triazol-2-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-[4-(difluoromethyl)triazol-2-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide is COc1ccc(CNS(=O)(=O)c2cc(NC(=O)Cc3ccccc3Cl)ccc2-n2ncc(C(F)F)n2)c(OC)c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-[4-(difluoromethyl)triazol-2-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is MQKSEGBUMFECPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF2N5O5S/c1-38-19-9-7-17(23(13-19)39-2)14-31-40(36,37)24-12-18(32-25(35)11-16-5-3-4-6-20(16)27)8-10-22(24)34-30-15-21(33-34)26(28)29/h3-10,12-13,15,26,31H,11,14H2,1-2H3,(H,32,35).
What are the key properties of 2-(2-chlorophenyl)-N-[4-[4-(difluoromethyl)triazol-2-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide?
2-(2-chlorophenyl)-N-[4-[4-(difluoromethyl)triazol-2-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 592.02 g/mol, XLogP of 4.54, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-[4-(difluoromethyl)triazol-2-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 165379987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).