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

C26H21FN2O4S — CID 5020799

IUPACN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C26H21FN2O4S/c1-33-25-16-13-22(17-24(25)29-34(31,32)23-14-11-21(27)12-15-23)28-26(30)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-17,29H,1H3,(H,28,30)
InChIKeyDVLMVJILWFSRPS-UHFFFAOYSA-N
MW476.53 g/mol
LogP5.55
Rot. Bonds7

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

N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenylbenzamide (PubChem CID 5020799) has the molecular formula C26H21FN2O4S and a molecular weight of 476.53 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenylbenzamide
PubChem CID5020799
Molecular FormulaC26H21FN2O4S
Molecular Weight476.53 g/mol
Exact Mass476.12
IUPAC NameN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C26H21FN2O4S/c1-33-25-16-13-22(17-24(25)29-34(31,32)23-14-11-21(27)12-15-23)28-26(30)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-17,29H,1H3,(H,28,30)
InChIKeyDVLMVJILWFSRPS-UHFFFAOYSA-N
XLogP5.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 55.55
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]-4-phenylbenzamide?
The IUPAC name of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenylbenzamide (CID 5020799) is N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenylbenzamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenylbenzamide is COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenylbenzamide?
The InChIKey is DVLMVJILWFSRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O4S/c1-33-25-16-13-22(17-24(25)29-34(31,32)23-14-11-21(27)12-15-23)28-26(30)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-17,29H,1H3,(H,28,30).
What are the key properties of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenylbenzamide?
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenylbenzamide has a molecular weight of 476.53 g/mol, XLogP of 5.55, 7 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]-4-phenylbenzamide is sourced from PubChem (CID 5020799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).