4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide

C20H18ClN3O3S — CID 1179285

IUPAC4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H18ClN3O3S/c21-17-4-3-6-19(12-17)28(26,27)24-13-15-7-9-16(10-8-15)20(25)23-14-18-5-1-2-11-22-18/h1-12,24H,13-14H2,(H,23,25)
InChIKeyMFSNHEUDNLWCOL-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.14
Rot. Bonds7

About 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide

4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 1179285) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID1179285
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Name4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H18ClN3O3S/c21-17-4-3-6-19(12-17)28(26,27)24-13-15-7-9-16(10-8-15)20(25)23-14-18-5-1-2-11-22-18/h1-12,24H,13-14H2,(H,23,25)
InChIKeyMFSNHEUDNLWCOL-UHFFFAOYSA-N
XLogP3.14
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide (CID 1179285) is 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is MFSNHEUDNLWCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c21-17-4-3-6-19(12-17)28(26,27)24-13-15-7-9-16(10-8-15)20(25)23-14-18-5-1-2-11-22-18/h1-12,24H,13-14H2,(H,23,25).
What are the key properties of 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide?
4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 415.90 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 1179285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).