4-[[(3-methylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide

C20H19N3O3S — CID 50912990

IUPAC4-[[(3-methylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
SMILESCc1cccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)c1
InChIInChI=1S/C20H19N3O3S/c1-15-4-2-6-19(12-15)27(25,26)22-13-16-7-9-17(10-8-16)20(24)23-18-5-3-11-21-14-18/h2-12,14,22H,13H2,1H3,(H,23,24)
InChIKeyWBZDXMJBOFKVSN-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.12
Rot. Bonds6

About 4-[[(3-methylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide

4-[[(3-methylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide (PubChem CID 50912990) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-[[(3-methylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[[(3-methylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
PubChem CID50912990
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name4-[[(3-methylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
SMILESCc1cccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)c1
InChIInChI=1S/C20H19N3O3S/c1-15-4-2-6-19(12-15)27(25,26)22-13-16-7-9-17(10-8-16)20(24)23-18-5-3-11-21-14-18/h2-12,14,22H,13H2,1H3,(H,23,24)
InChIKeyWBZDXMJBOFKVSN-UHFFFAOYSA-N
XLogP3.12
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-[[(3-methylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide (CID 50912990) is 4-[[(3-methylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[[(3-methylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[[(3-methylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide is Cc1cccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)c1.
What is the InChIKey of 4-[[(3-methylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
The InChIKey is WBZDXMJBOFKVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-15-4-2-6-19(12-15)27(25,26)22-13-16-7-9-17(10-8-16)20(24)23-18-5-3-11-21-14-18/h2-12,14,22H,13H2,1H3,(H,23,24).
What are the key properties of 4-[[(3-methylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
4-[[(3-methylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide has a molecular weight of 381.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 50912990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).