N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide

C22H21ClN2O4S — CID 155544483

IUPACN-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-29-21-8-3-2-7-20(21)22(26)24-14-16-9-11-17(12-10-16)15-25-30(27,28)19-6-4-5-18(23)13-19/h2-13,25H,14-15H2,1H3,(H,24,26)
InChIKeyWOJVWERYZZTHEM-UHFFFAOYSA-N
MW444.94 g/mol
LogP3.76
Rot. Bonds8

About N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide

N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide (PubChem CID 155544483) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide
PubChem CID155544483
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC NameN-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-29-21-8-3-2-7-20(21)22(26)24-14-16-9-11-17(12-10-16)15-25-30(27,28)19-6-4-5-18(23)13-19/h2-13,25H,14-15H2,1H3,(H,24,26)
InChIKeyWOJVWERYZZTHEM-UHFFFAOYSA-N
XLogP3.76
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide (CID 155544483) is N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide?
The InChIKey is WOJVWERYZZTHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-29-21-8-3-2-7-20(21)22(26)24-14-16-9-11-17(12-10-16)15-25-30(27,28)19-6-4-5-18(23)13-19/h2-13,25H,14-15H2,1H3,(H,24,26).
What are the key properties of N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide?
N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide has a molecular weight of 444.94 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 155544483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).