N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide

C20H17FN2O4S — CID 2441718

IUPACN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H17FN2O4S/c1-27-19-12-9-16(22-20(24)14-5-3-2-4-6-14)13-18(19)23-28(25,26)17-10-7-15(21)8-11-17/h2-13,23H,1H3,(H,22,24)
InChIKeyOHHUSPZJCSWVPA-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.89
Rot. Bonds6

About N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide

N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide (PubChem CID 2441718) has the molecular formula C20H17FN2O4S and a molecular weight of 400.43 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide
PubChem CID2441718
Molecular FormulaC20H17FN2O4S
Molecular Weight400.43 g/mol
Exact Mass400.09
IUPAC NameN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H17FN2O4S/c1-27-19-12-9-16(22-20(24)14-5-3-2-4-6-14)13-18(19)23-28(25,26)17-10-7-15(21)8-11-17/h2-13,23H,1H3,(H,22,24)
InChIKeyOHHUSPZJCSWVPA-UHFFFAOYSA-N
XLogP3.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide?
The IUPAC name of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide (CID 2441718) is N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide is COc1ccc(NC(=O)c2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide?
The InChIKey is OHHUSPZJCSWVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4S/c1-27-19-12-9-16(22-20(24)14-5-3-2-4-6-14)13-18(19)23-28(25,26)17-10-7-15(21)8-11-17/h2-13,23H,1H3,(H,22,24).
What are the key properties of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide?
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide has a molecular weight of 400.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide is sourced from PubChem (CID 2441718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).