5-chloro-6-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carboxamide

C17H17ClN6O4S — CID 56585060

About 5-chloro-6-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carboxamide

5-chloro-6-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 56585060) has the molecular formula C17H17ClN6O4S and a molecular weight of 436.88 g/mol. Its IUPAC name is 5-chloro-6-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-6-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carboxamide
• PubChem CID: 56585060
• Molecular Formula: C17H17ClN6O4S
• Molecular Weight: 436.88 g/mol
• Exact Mass: 436.07
• IUPAC Name: 5-chloro-6-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carboxamide
• SMILES: NC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)c(Cl)c1
• InChI: InChI=1S/C17H17ClN6O4S/c18-12-7-10(15(19)25)9-20-16(12)23-3-5-24(6-4-23)29(27,28)11-1-2-13-14(8-11)22-17(26)21-13/h1-2,7-9H,3-6H2,(H2,19,25)(H2,21,22,26)
• InChIKey: QGHPRBLIWXRKRQ-UHFFFAOYSA-N
• XLogP: 0.51
• TPSA: 145.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.88
LogP ≤ 5	0.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carboxamide?

The IUPAC name of 5-chloro-6-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carboxamide (CID 56585060) is 5-chloro-6-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-6-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 5-chloro-6-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)c(Cl)c1.

What is the InChIKey of 5-chloro-6-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carboxamide?

The InChIKey is QGHPRBLIWXRKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O4S/c18-12-7-10(15(19)25)9-20-16(12)23-3-5-24(6-4-23)29(27,28)11-1-2-13-14(8-11)22-17(26)21-13/h1-2,7-9H,3-6H2,(H2,19,25)(H2,21,22,26).

What are the key properties of 5-chloro-6-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carboxamide?

5-chloro-6-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 436.88 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-6-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 56585060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).