6-chloro-N-[(3S)-2-oxo-1-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide

C20H22ClN3O4S2 — CID 11754356

IUPAC6-chloro-N-[(3S)-2-oxo-1-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
SMILESO=C(CN1CCC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)N1CCSC1
InChIInChI=1S/C20H22ClN3O4S2/c21-16-5-3-15-11-17(6-4-14(15)10-16)30(27,28)22-18-2-1-7-23(20(18)26)12-19(25)24-8-9-29-13-24/h3-6,10-11,18,22H,1-2,7-9,12-13H2/t18-/m0/s1
InChIKeyZUNXCVVMGRVVCM-SFHVURJKSA-N
MW468.00 g/mol
LogP2.30
Rot. Bonds5

About 6-chloro-N-[(3S)-2-oxo-1-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide

6-chloro-N-[(3S)-2-oxo-1-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 11754356) has the molecular formula C20H22ClN3O4S2 and a molecular weight of 468.00 g/mol. Its IUPAC name is 6-chloro-N-[(3S)-2-oxo-1-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(3S)-2-oxo-1-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
PubChem CID11754356
Molecular FormulaC20H22ClN3O4S2
Molecular Weight468.00 g/mol
Exact Mass467.07
IUPAC Name6-chloro-N-[(3S)-2-oxo-1-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
SMILESO=C(CN1CCC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)N1CCSC1
InChIInChI=1S/C20H22ClN3O4S2/c21-16-5-3-15-11-17(6-4-14(15)10-16)30(27,28)22-18-2-1-7-23(20(18)26)12-19(25)24-8-9-29-13-24/h3-6,10-11,18,22H,1-2,7-9,12-13H2/t18-/m0/s1
InChIKeyZUNXCVVMGRVVCM-SFHVURJKSA-N
XLogP2.30
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-[(3S)-2-oxo-1-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3S)-2-oxo-1-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of 6-chloro-N-[(3S)-2-oxo-1-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide (CID 11754356) is 6-chloro-N-[(3S)-2-oxo-1-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(3S)-2-oxo-1-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-chloro-N-[(3S)-2-oxo-1-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide is O=C(CN1CCC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)N1CCSC1.
What is the InChIKey of 6-chloro-N-[(3S)-2-oxo-1-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is ZUNXCVVMGRVVCM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22ClN3O4S2/c21-16-5-3-15-11-17(6-4-14(15)10-16)30(27,28)22-18-2-1-7-23(20(18)26)12-19(25)24-8-9-29-13-24/h3-6,10-11,18,22H,1-2,7-9,12-13H2/t18-/m0/s1.
What are the key properties of 6-chloro-N-[(3S)-2-oxo-1-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide?
6-chloro-N-[(3S)-2-oxo-1-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 468.00 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3S)-2-oxo-1-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 11754356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).