2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide

C23H23ClFN3O7S2 — CID 126410627

IUPAC2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)c(Cl)c3)S(C)(=O)=O)cc2)c(OC)c1
InChIInChI=1S/C23H23ClFN3O7S2/c1-34-17-7-11-21(22(13-17)35-2)27-37(32,33)18-8-4-15(5-9-18)26-23(29)14-28(36(3,30)31)16-6-10-20(25)19(24)12-16/h4-13,27H,14H2,1-3H3,(H,26,29)
InChIKeyATURHZIMIFCPTD-UHFFFAOYSA-N
MW572.04 g/mol
LogP3.70
Rot. Bonds10

About 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide

2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 126410627) has the molecular formula C23H23ClFN3O7S2 and a molecular weight of 572.04 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
PubChem CID126410627
Molecular FormulaC23H23ClFN3O7S2
Molecular Weight572.04 g/mol
Exact Mass571.06
IUPAC Name2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)c(Cl)c3)S(C)(=O)=O)cc2)c(OC)c1
InChIInChI=1S/C23H23ClFN3O7S2/c1-34-17-7-11-21(22(13-17)35-2)27-37(32,33)18-8-4-15(5-9-18)26-23(29)14-28(36(3,30)31)16-6-10-20(25)19(24)12-16/h4-13,27H,14H2,1-3H3,(H,26,29)
InChIKeyATURHZIMIFCPTD-UHFFFAOYSA-N
XLogP3.70
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.04
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3921023
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 30391020
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)acetamide
CID 1102424
N-(4-chlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1100013
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126413803
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43881644
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide
CID 1260653
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 126186135
N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 1290563
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43880089
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126179339
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 28589422

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide (CID 126410627) is 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)c(Cl)c3)S(C)(=O)=O)cc2)c(OC)c1.
What is the InChIKey of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is ATURHZIMIFCPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O7S2/c1-34-17-7-11-21(22(13-17)35-2)27-37(32,33)18-8-4-15(5-9-18)26-23(29)14-28(36(3,30)31)16-6-10-20(25)19(24)12-16/h4-13,27H,14H2,1-3H3,(H,26,29).
What are the key properties of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide?
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 572.04 g/mol, XLogP of 3.70, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 126410627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).