4-fluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide

C20H17FN2O3S — CID 1219578

IUPAC4-fluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C20H17FN2O3S/c1-14-2-12-19(13-3-14)27(25,26)23-18-10-8-17(9-11-18)22-20(24)15-4-6-16(21)7-5-15/h2-13,23H,1H3,(H,22,24)
InChIKeyAKONPEBPTNIQFX-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.19
Rot. Bonds5

About 4-fluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide

4-fluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide (PubChem CID 1219578) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is 4-fluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
PubChem CID1219578
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC Name4-fluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C20H17FN2O3S/c1-14-2-12-19(13-3-14)27(25,26)23-18-10-8-17(9-11-18)22-20(24)15-4-6-16(21)7-5-15/h2-13,23H,1H3,(H,22,24)
InChIKeyAKONPEBPTNIQFX-UHFFFAOYSA-N
XLogP4.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide (CID 1219578) is 4-fluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The InChIKey is AKONPEBPTNIQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c1-14-2-12-19(13-3-14)27(25,26)23-18-10-8-17(9-11-18)22-20(24)15-4-6-16(21)7-5-15/h2-13,23H,1H3,(H,22,24).
What are the key properties of 4-fluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
4-fluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide has a molecular weight of 384.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide is sourced from PubChem (CID 1219578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).