6-chloro-N-[(3S)-1-[2-fluoro-4-(1-piperidin-1-ylethyl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide

C27H29ClFN3O3S — CID 46226394

IUPAC6-chloro-N-[(3S)-1-[2-fluoro-4-(1-piperidin-1-ylethyl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESCC(c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1)N1CCCCC1
InChIInChI=1S/C27H29ClFN3O3S/c1-18(31-12-3-2-4-13-31)19-7-10-26(24(29)17-19)32-14-11-25(27(32)33)30-36(34,35)23-9-6-20-15-22(28)8-5-21(20)16-23/h5-10,15-18,25,30H,2-4,11-14H2,1H3/t18?,25-/m0/s1
InChIKeyHKWKWMRIXJMVCH-LYIYLXCWSA-N
MW530.07 g/mol
LogP5.26
Rot. Bonds6

About 6-chloro-N-[(3S)-1-[2-fluoro-4-(1-piperidin-1-ylethyl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide

6-chloro-N-[(3S)-1-[2-fluoro-4-(1-piperidin-1-ylethyl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 46226394) has the molecular formula C27H29ClFN3O3S and a molecular weight of 530.07 g/mol. Its IUPAC name is 6-chloro-N-[(3S)-1-[2-fluoro-4-(1-piperidin-1-ylethyl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(3S)-1-[2-fluoro-4-(1-piperidin-1-ylethyl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
PubChem CID46226394
Molecular FormulaC27H29ClFN3O3S
Molecular Weight530.07 g/mol
Exact Mass529.16
IUPAC Name6-chloro-N-[(3S)-1-[2-fluoro-4-(1-piperidin-1-ylethyl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESCC(c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1)N1CCCCC1
InChIInChI=1S/C27H29ClFN3O3S/c1-18(31-12-3-2-4-13-31)19-7-10-26(24(29)17-19)32-14-11-25(27(32)33)30-36(34,35)23-9-6-20-15-22(28)8-5-21(20)16-23/h5-10,15-18,25,30H,2-4,11-14H2,1H3/t18?,25-/m0/s1
InChIKeyHKWKWMRIXJMVCH-LYIYLXCWSA-N
XLogP5.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.07
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[(3S)-1-[2-fluoro-4-(1-piperidin-1-ylethyl)phenyl]-2-oxopyrrolidin-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)-1-[2-fluoro-4-(1-piperidin-1-ylethyl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of 6-chloro-N-[(3S)-1-[2-fluoro-4-(1-piperidin-1-ylethyl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide (CID 46226394) is 6-chloro-N-[(3S)-1-[2-fluoro-4-(1-piperidin-1-ylethyl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(3S)-1-[2-fluoro-4-(1-piperidin-1-ylethyl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-chloro-N-[(3S)-1-[2-fluoro-4-(1-piperidin-1-ylethyl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide is CC(c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1)N1CCCCC1.
What is the InChIKey of 6-chloro-N-[(3S)-1-[2-fluoro-4-(1-piperidin-1-ylethyl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is HKWKWMRIXJMVCH-LYIYLXCWSA-N. The full InChI is InChI=1S/C27H29ClFN3O3S/c1-18(31-12-3-2-4-13-31)19-7-10-26(24(29)17-19)32-14-11-25(27(32)33)30-36(34,35)23-9-6-20-15-22(28)8-5-21(20)16-23/h5-10,15-18,25,30H,2-4,11-14H2,1H3/t18?,25-/m0/s1.
What are the key properties of 6-chloro-N-[(3S)-1-[2-fluoro-4-(1-piperidin-1-ylethyl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
6-chloro-N-[(3S)-1-[2-fluoro-4-(1-piperidin-1-ylethyl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 530.07 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3S)-1-[2-fluoro-4-(1-piperidin-1-ylethyl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 46226394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).