4-fluoro-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide

C20H18FN3O3S — CID 139369409

IUPAC4-fluoro-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccnc3)ccc2F)cc1
InChIInChI=1S/C20H18FN3O3S/c1-14-4-7-17(8-5-14)28(26,27)24-19-11-16(6-9-18(19)21)20(25)23-13-15-3-2-10-22-12-15/h2-12,24H,13H2,1H3,(H,23,25)
InChIKeyZZUSEQIFQWSHOP-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.26
Rot. Bonds6

About 4-fluoro-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide

4-fluoro-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 139369409) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-fluoro-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID139369409
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC Name4-fluoro-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccnc3)ccc2F)cc1
InChIInChI=1S/C20H18FN3O3S/c1-14-4-7-17(8-5-14)28(26,27)24-19-11-16(6-9-18(19)21)20(25)23-13-15-3-2-10-22-12-15/h2-12,24H,13H2,1H3,(H,23,25)
InChIKeyZZUSEQIFQWSHOP-UHFFFAOYSA-N
XLogP3.26
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide (CID 139369409) is 4-fluoro-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccnc3)ccc2F)cc1.
What is the InChIKey of 4-fluoro-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is ZZUSEQIFQWSHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-14-4-7-17(8-5-14)28(26,27)24-19-11-16(6-9-18(19)21)20(25)23-13-15-3-2-10-22-12-15/h2-12,24H,13H2,1H3,(H,23,25).
What are the key properties of 4-fluoro-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
4-fluoro-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 399.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 139369409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).