2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-difluorophenyl)acetamide

C21H17ClF2N2O4S — CID 42989068

IUPAC2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-difluorophenyl)acetamide
SMILESCN(c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClF2N2O4S/c1-26(31(28,29)18-9-2-14(22)3-10-18)16-5-7-17(8-6-16)30-13-21(27)25-15-4-11-19(23)20(24)12-15/h2-12H,13H2,1H3,(H,25,27)
InChIKeyYYWLUAUSSCNWBX-UHFFFAOYSA-N
MW466.89 g/mol
LogP4.46
Rot. Bonds7

About 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-difluorophenyl)acetamide

2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-difluorophenyl)acetamide (PubChem CID 42989068) has the molecular formula C21H17ClF2N2O4S and a molecular weight of 466.89 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-difluorophenyl)acetamide
PubChem CID42989068
Molecular FormulaC21H17ClF2N2O4S
Molecular Weight466.89 g/mol
Exact Mass466.06
IUPAC Name2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-difluorophenyl)acetamide
SMILESCN(c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClF2N2O4S/c1-26(31(28,29)18-9-2-14(22)3-10-18)16-5-7-17(8-6-16)30-13-21(27)25-15-4-11-19(23)20(24)12-15/h2-12H,13H2,1H3,(H,25,27)
InChIKeyYYWLUAUSSCNWBX-UHFFFAOYSA-N
XLogP4.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.89
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 151533
CID 151533
CID 6457540
CID 6457540
CID 1005987
CID 1005987
CID 1006478
CID 1006478
CID 1084054
CID 1084054
CID 1211174
CID 1211174
CID 1213802
CID 1213802
CID 1226821
CID 1226821
CID 1236081
CID 1236081
CID 1266501
CID 1266501
CID 1296665
CID 1296665
CID 1316065
CID 1316065

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-difluorophenyl)acetamide (CID 42989068) is 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-difluorophenyl)acetamide is CN(c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is YYWLUAUSSCNWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N2O4S/c1-26(31(28,29)18-9-2-14(22)3-10-18)16-5-7-17(8-6-16)30-13-21(27)25-15-4-11-19(23)20(24)12-15/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-difluorophenyl)acetamide?
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 466.89 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 42989068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).