N-(benzenesulfonyl)-4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxamide

C30H32FN5O4S — CID 71110605

About N-(benzenesulfonyl)-4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxamide

N-(benzenesulfonyl)-4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxamide (PubChem CID 71110605) has the molecular formula C30H32FN5O4S and a molecular weight of 577.68 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-(benzenesulfonyl)-4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxamide
• PubChem CID: 71110605
• Molecular Formula: C30H32FN5O4S
• Molecular Weight: 577.68 g/mol
• Exact Mass: 577.22
• IUPAC Name: N-(benzenesulfonyl)-4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxamide
• SMILES: O=C(NS(=O)(=O)c1ccccc1)C1CCC(OC2CCN(c3ccc(-c4nc5ccc(F)cc5[nH]4)cn3)CC2)CC1
• InChI: InChI=1S/C30H32FN5O4S/c31-22-9-12-26-27(18-22)34-29(33-26)21-8-13-28(32-19-21)36-16-14-24(15-17-36)40-23-10-6-20(7-11-23)30(37)35-41(38,39)25-4-2-1-3-5-25/h1-5,8-9,12-13,18-20,23-24H,6-7,10-11,14-17H2,(H,33,34)(H,35,37)
• InChIKey: NEWZNOMHMHYEPW-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 117.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.68
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxamide?

The IUPAC name of N-(benzenesulfonyl)-4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxamide (CID 71110605) is N-(benzenesulfonyl)-4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxamide.

What is the SMILES notation for N-(benzenesulfonyl)-4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxamide?

The canonical SMILES for N-(benzenesulfonyl)-4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxamide is O=C(NS(=O)(=O)c1ccccc1)C1CCC(OC2CCN(c3ccc(-c4nc5ccc(F)cc5[nH]4)cn3)CC2)CC1.

What is the InChIKey of N-(benzenesulfonyl)-4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxamide?

The InChIKey is NEWZNOMHMHYEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O4S/c31-22-9-12-26-27(18-22)34-29(33-26)21-8-13-28(32-19-21)36-16-14-24(15-17-36)40-23-10-6-20(7-11-23)30(37)35-41(38,39)25-4-2-1-3-5-25/h1-5,8-9,12-13,18-20,23-24H,6-7,10-11,14-17H2,(H,33,34)(H,35,37).

What are the key properties of N-(benzenesulfonyl)-4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxamide?

N-(benzenesulfonyl)-4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxamide has a molecular weight of 577.68 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(benzenesulfonyl)-4-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxamide is sourced from PubChem (CID 71110605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).