N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide

C22H21FN2O4S — CID 155518093

IUPACN-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C22H21FN2O4S/c1-29-20-8-4-2-6-18(20)22(26)24-14-16-10-12-17(13-11-16)15-25-30(27,28)21-9-5-3-7-19(21)23/h2-13,25H,14-15H2,1H3,(H,24,26)
InChIKeyFPJJLXYNRRVMOE-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.24
Rot. Bonds8

About N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide

N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide (PubChem CID 155518093) has the molecular formula C22H21FN2O4S and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide
PubChem CID155518093
Molecular FormulaC22H21FN2O4S
Molecular Weight428.49 g/mol
Exact Mass428.12
IUPAC NameN-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C22H21FN2O4S/c1-29-20-8-4-2-6-18(20)22(26)24-14-16-10-12-17(13-11-16)15-25-30(27,28)21-9-5-3-7-19(21)23/h2-13,25H,14-15H2,1H3,(H,24,26)
InChIKeyFPJJLXYNRRVMOE-UHFFFAOYSA-N
XLogP3.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide (CID 155518093) is N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide?
The InChIKey is FPJJLXYNRRVMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4S/c1-29-20-8-4-2-6-18(20)22(26)24-14-16-10-12-17(13-11-16)15-25-30(27,28)21-9-5-3-7-19(21)23/h2-13,25H,14-15H2,1H3,(H,24,26).
What are the key properties of N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide?
N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide has a molecular weight of 428.49 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 155518093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).