6-chloro-N-[2-oxo-1-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide

C27H35ClN4O4S — CID 20581417

IUPAC6-chloro-N-[2-oxo-1-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
SMILESO=C(CN1CCCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C27H35ClN4O4S/c28-22-8-6-21-18-24(9-7-20(21)17-22)37(35,36)29-25-5-4-14-32(27(25)34)19-26(33)31-15-10-23(11-16-31)30-12-2-1-3-13-30/h6-9,17-18,23,25,29H,1-5,10-16,19H2
InChIKeyDZHLCDISXTUSPC-UHFFFAOYSA-N
MW547.12 g/mol
LogP3.24
Rot. Bonds6

About 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide

6-chloro-N-[2-oxo-1-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 20581417) has the molecular formula C27H35ClN4O4S and a molecular weight of 547.12 g/mol. Its IUPAC name is 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-oxo-1-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
PubChem CID20581417
Molecular FormulaC27H35ClN4O4S
Molecular Weight547.12 g/mol
Exact Mass546.21
IUPAC Name6-chloro-N-[2-oxo-1-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
SMILESO=C(CN1CCCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C27H35ClN4O4S/c28-22-8-6-21-18-24(9-7-20(21)17-22)37(35,36)29-25-5-4-14-32(27(25)34)19-26(33)31-15-10-23(11-16-31)30-12-2-1-3-13-30/h6-9,17-18,23,25,29H,1-5,10-16,19H2
InChIKeyDZHLCDISXTUSPC-UHFFFAOYSA-N
XLogP3.24
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.12
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide (CID 20581417) is 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide is O=C(CN1CCCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is DZHLCDISXTUSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN4O4S/c28-22-8-6-21-18-24(9-7-20(21)17-22)37(35,36)29-25-5-4-14-32(27(25)34)19-26(33)31-15-10-23(11-16-31)30-12-2-1-3-13-30/h6-9,17-18,23,25,29H,1-5,10-16,19H2.
What are the key properties of 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide?
6-chloro-N-[2-oxo-1-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 547.12 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 20581417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).