5-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-2-fluoro-N-propan-2-ylbenzamide

C22H21ClFN3O3S — CID 46182463

IUPAC5-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccnc2)ccc1F
InChIInChI=1S/C22H21ClFN3O3S/c1-15(2)26-22(28)20-12-18(9-10-21(20)24)27(14-16-5-7-17(23)8-6-16)31(29,30)19-4-3-11-25-13-19/h3-13,15H,14H2,1-2H3,(H,26,28)
InChIKeyNUZYSGSUAPEZQU-UHFFFAOYSA-N
MW461.95 g/mol
LogP4.41
Rot. Bonds7

About 5-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-2-fluoro-N-propan-2-ylbenzamide

5-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-2-fluoro-N-propan-2-ylbenzamide (PubChem CID 46182463) has the molecular formula C22H21ClFN3O3S and a molecular weight of 461.95 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-2-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
PubChem CID46182463
Molecular FormulaC22H21ClFN3O3S
Molecular Weight461.95 g/mol
Exact Mass461.10
IUPAC Name5-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccnc2)ccc1F
InChIInChI=1S/C22H21ClFN3O3S/c1-15(2)26-22(28)20-12-18(9-10-21(20)24)27(14-16-5-7-17(23)8-6-16)31(29,30)19-4-3-11-25-13-19/h3-13,15H,14H2,1-2H3,(H,26,28)
InChIKeyNUZYSGSUAPEZQU-UHFFFAOYSA-N
XLogP4.41
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-2-fluoro-N-propan-2-ylbenzamide?
The IUPAC name of 5-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-2-fluoro-N-propan-2-ylbenzamide (CID 46182463) is 5-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-2-fluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-2-fluoro-N-propan-2-ylbenzamide?
The canonical SMILES for 5-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-2-fluoro-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccnc2)ccc1F.
What is the InChIKey of 5-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-2-fluoro-N-propan-2-ylbenzamide?
The InChIKey is NUZYSGSUAPEZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3O3S/c1-15(2)26-22(28)20-12-18(9-10-21(20)24)27(14-16-5-7-17(23)8-6-16)31(29,30)19-4-3-11-25-13-19/h3-13,15H,14H2,1-2H3,(H,26,28).
What are the key properties of 5-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-2-fluoro-N-propan-2-ylbenzamide?
5-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-2-fluoro-N-propan-2-ylbenzamide has a molecular weight of 461.95 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl-pyridin-3-ylsulfonylamino]-2-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 46182463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).