2,4-dichloro-N-[[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]-pyridin-2-ylmethyl]benzamide

C20H19Cl2N5O3S — CID 46935694

IUPAC2,4-dichloro-N-[[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]-pyridin-2-ylmethyl]benzamide
SMILESCn1cnc(S(=O)(=O)N2CC(C(NC(=O)c3ccc(Cl)cc3Cl)c3ccccn3)C2)c1
InChIInChI=1S/C20H19Cl2N5O3S/c1-26-11-18(24-12-26)31(29,30)27-9-13(10-27)19(17-4-2-3-7-23-17)25-20(28)15-6-5-14(21)8-16(15)22/h2-8,11-13,19H,9-10H2,1H3,(H,25,28)
InChIKeyMJMFVYBPCMTBBD-UHFFFAOYSA-N
MW480.38 g/mol
LogP2.91
Rot. Bonds6

About 2,4-dichloro-N-[[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]-pyridin-2-ylmethyl]benzamide

2,4-dichloro-N-[[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]-pyridin-2-ylmethyl]benzamide (PubChem CID 46935694) has the molecular formula C20H19Cl2N5O3S and a molecular weight of 480.38 g/mol. Its IUPAC name is 2,4-dichloro-N-[[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]-pyridin-2-ylmethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]-pyridin-2-ylmethyl]benzamide
PubChem CID46935694
Molecular FormulaC20H19Cl2N5O3S
Molecular Weight480.38 g/mol
Exact Mass479.06
IUPAC Name2,4-dichloro-N-[[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]-pyridin-2-ylmethyl]benzamide
SMILESCn1cnc(S(=O)(=O)N2CC(C(NC(=O)c3ccc(Cl)cc3Cl)c3ccccn3)C2)c1
InChIInChI=1S/C20H19Cl2N5O3S/c1-26-11-18(24-12-26)31(29,30)27-9-13(10-27)19(17-4-2-3-7-23-17)25-20(28)15-6-5-14(21)8-16(15)22/h2-8,11-13,19H,9-10H2,1H3,(H,25,28)
InChIKeyMJMFVYBPCMTBBD-UHFFFAOYSA-N
XLogP2.91
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]-pyridin-2-ylmethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]-pyridin-2-ylmethyl]benzamide (CID 46935694) is 2,4-dichloro-N-[[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]-pyridin-2-ylmethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]-pyridin-2-ylmethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]-pyridin-2-ylmethyl]benzamide is Cn1cnc(S(=O)(=O)N2CC(C(NC(=O)c3ccc(Cl)cc3Cl)c3ccccn3)C2)c1.
What is the InChIKey of 2,4-dichloro-N-[[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]-pyridin-2-ylmethyl]benzamide?
The InChIKey is MJMFVYBPCMTBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N5O3S/c1-26-11-18(24-12-26)31(29,30)27-9-13(10-27)19(17-4-2-3-7-23-17)25-20(28)15-6-5-14(21)8-16(15)22/h2-8,11-13,19H,9-10H2,1H3,(H,25,28).
What are the key properties of 2,4-dichloro-N-[[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]-pyridin-2-ylmethyl]benzamide?
2,4-dichloro-N-[[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]-pyridin-2-ylmethyl]benzamide has a molecular weight of 480.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]-pyridin-2-ylmethyl]benzamide is sourced from PubChem (CID 46935694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).