1-(1,3-benzodioxol-5-yl)-N-[6-[3-(methanesulfonamido)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

C23H25N3O5S — CID 159772286

About 1-(1,3-benzodioxol-5-yl)-N-[6-[3-(methanesulfonamido)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[6-[3-(methanesulfonamido)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 159772286) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[6-[3-(methanesulfonamido)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-[6-[3-(methanesulfonamido)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 159772286
• Molecular Formula: C23H25N3O5S
• Molecular Weight: 455.54 g/mol
• Exact Mass: 455.15
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[6-[3-(methanesulfonamido)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CS(=O)(=O)Nc1cccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)c1.[H][H].[H][H]
• InChI: InChI=1S/C23H21N3O5S.2H2/c1-32(28,29)26-17-5-2-4-15(12-17)18-6-3-7-21(24-18)25-22(27)23(10-11-23)16-8-9-19-20(13-16)31-14-30-19;;/h2-9,12-13,26H,10-11,14H2,1H3,(H,24,25,27);2*1H
• InChIKey: NGGQFIHRAVTCSQ-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 106.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.54
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-[3-(methanesulfonamido)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[6-[3-(methanesulfonamido)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 159772286) is 1-(1,3-benzodioxol-5-yl)-N-[6-[3-(methanesulfonamido)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[6-[3-(methanesulfonamido)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[6-[3-(methanesulfonamido)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is CS(=O)(=O)Nc1cccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)c1.[H][H].[H][H].

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[6-[3-(methanesulfonamido)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is NGGQFIHRAVTCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S.2H2/c1-32(28,29)26-17-5-2-4-15(12-17)18-6-3-7-21(24-18)25-22(27)23(10-11-23)16-8-9-19-20(13-16)31-14-30-19;;/h2-9,12-13,26H,10-11,14H2,1H3,(H,24,25,27);2*1H.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[6-[3-(methanesulfonamido)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

1-(1,3-benzodioxol-5-yl)-N-[6-[3-(methanesulfonamido)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 455.54 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-[6-[3-(methanesulfonamido)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159772286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).