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

C24H31ClN4O4S — CID 20581375

IUPAC6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
SMILESCC(C)N1CCN(C(=O)CN2CCCC(NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)CC1
InChIInChI=1S/C24H31ClN4O4S/c1-17(2)27-10-12-28(13-11-27)23(30)16-29-9-3-4-22(24(29)31)26-34(32,33)21-8-6-18-14-20(25)7-5-19(18)15-21/h5-8,14-15,17,22,26H,3-4,9-13,16H2,1-2H3
InChIKeyPYHOYSMQZUDLPT-UHFFFAOYSA-N
MW507.06 g/mol
LogP2.32
Rot. Bonds6

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

6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 20581375) has the molecular formula C24H31ClN4O4S and a molecular weight of 507.06 g/mol. Its IUPAC name is 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
PubChem CID20581375
Molecular FormulaC24H31ClN4O4S
Molecular Weight507.06 g/mol
Exact Mass506.18
IUPAC Name6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
SMILESCC(C)N1CCN(C(=O)CN2CCCC(NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)CC1
InChIInChI=1S/C24H31ClN4O4S/c1-17(2)27-10-12-28(13-11-27)23(30)16-29-9-3-4-22(24(29)31)26-34(32,33)21-8-6-18-14-20(25)7-5-19(18)15-21/h5-8,14-15,17,22,26H,3-4,9-13,16H2,1-2H3
InChIKeyPYHOYSMQZUDLPT-UHFFFAOYSA-N
XLogP2.32
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.06
LogP ≤ 52.32
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-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide (CID 20581375) is 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-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-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide is CC(C)N1CCN(C(=O)CN2CCCC(NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)CC1.
What is the InChIKey of 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is PYHOYSMQZUDLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O4S/c1-17(2)27-10-12-28(13-11-27)23(30)16-29-9-3-4-22(24(29)31)26-34(32,33)21-8-6-18-14-20(25)7-5-19(18)15-21/h5-8,14-15,17,22,26H,3-4,9-13,16H2,1-2H3.
What are the key properties of 6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide?
6-chloro-N-[2-oxo-1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 507.06 g/mol, XLogP of 2.32, 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-propan-2-ylpiperazin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 20581375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).