N-(2,4-difluorophenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

C21H22F2N4O4S — CID 20858743

IUPACN-(2,4-difluorophenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(F)cc2F)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C21H22F2N4O4S/c1-13-21(14(2)26(3)25-13)32(29,30)27(16-6-8-17(31-4)9-7-16)12-20(28)24-19-10-5-15(22)11-18(19)23/h5-11H,12H2,1-4H3,(H,24,28)
InChIKeyRJUKJPMDNQUNMF-UHFFFAOYSA-N
MW464.49 g/mol
LogP3.16
Rot. Bonds7

About N-(2,4-difluorophenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

N-(2,4-difluorophenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (PubChem CID 20858743) has the molecular formula C21H22F2N4O4S and a molecular weight of 464.49 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
PubChem CID20858743
Molecular FormulaC21H22F2N4O4S
Molecular Weight464.49 g/mol
Exact Mass464.13
IUPAC NameN-(2,4-difluorophenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(F)cc2F)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C21H22F2N4O4S/c1-13-21(14(2)26(3)25-13)32(29,30)27(16-6-8-17(31-4)9-7-16)12-20(28)24-19-10-5-15(22)11-18(19)23/h5-11H,12H2,1-4H3,(H,24,28)
InChIKeyRJUKJPMDNQUNMF-UHFFFAOYSA-N
XLogP3.16
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (CID 20858743) is N-(2,4-difluorophenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is COc1ccc(N(CC(=O)Nc2ccc(F)cc2F)S(=O)(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The InChIKey is RJUKJPMDNQUNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O4S/c1-13-21(14(2)26(3)25-13)32(29,30)27(16-6-8-17(31-4)9-7-16)12-20(28)24-19-10-5-15(22)11-18(19)23/h5-11H,12H2,1-4H3,(H,24,28).
What are the key properties of N-(2,4-difluorophenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
N-(2,4-difluorophenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide has a molecular weight of 464.49 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is sourced from PubChem (CID 20858743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).