(3R)-N-(3-chlorophenyl)-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide

C23H29ClN4O4S — CID 93058436

About (3R)-N-(3-chlorophenyl)-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide

(3R)-N-(3-chlorophenyl)-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide (PubChem CID 93058436) has the molecular formula C23H29ClN4O4S and a molecular weight of 493.03 g/mol. Its IUPAC name is (3R)-N-(3-chlorophenyl)-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(3-chlorophenyl)-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
• PubChem CID: 93058436
• Molecular Formula: C23H29ClN4O4S
• Molecular Weight: 493.03 g/mol
• Exact Mass: 492.16
• IUPAC Name: (3R)-N-(3-chlorophenyl)-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
• SMILES: CC1CCN(C(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cccc(Cl)c4)C3)c[nH]2)CC1
• InChI: InChI=1S/C23H29ClN4O4S/c1-16-7-10-27(11-8-16)23(30)21-13-20(14-25-21)33(31,32)28-9-3-4-17(15-28)22(29)26-19-6-2-5-18(24)12-19/h2,5-6,12-14,16-17,25H,3-4,7-11,15H2,1H3,(H,26,29)/t17-/m1/s1
• InChIKey: DBBCEOVORQAECF-QGZVFWFLSA-N
• XLogP: 3.58
• TPSA: 102.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.03
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chlorophenyl)-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-(3-chlorophenyl)-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide (CID 93058436) is (3R)-N-(3-chlorophenyl)-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-(3-chlorophenyl)-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-(3-chlorophenyl)-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide is CC1CCN(C(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cccc(Cl)c4)C3)c[nH]2)CC1.

What is the InChIKey of (3R)-N-(3-chlorophenyl)-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide?

The InChIKey is DBBCEOVORQAECF-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H29ClN4O4S/c1-16-7-10-27(11-8-16)23(30)21-13-20(14-25-21)33(31,32)28-9-3-4-17(15-28)22(29)26-19-6-2-5-18(24)12-19/h2,5-6,12-14,16-17,25H,3-4,7-11,15H2,1H3,(H,26,29)/t17-/m1/s1.

What are the key properties of (3R)-N-(3-chlorophenyl)-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide?

(3R)-N-(3-chlorophenyl)-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide has a molecular weight of 493.03 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(3-chlorophenyl)-1-[[5-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 93058436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).