6-chloro-N-[1-[4-[1-[ethyl(methyl)amino]ethyl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide

C25H27ClFN3O3S — CID 11249134

IUPAC6-chloro-N-[1-[4-[1-[ethyl(methyl)amino]ethyl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESCCN(C)C(C)c1ccc(N2CCC(NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1
InChIInChI=1S/C25H27ClFN3O3S/c1-4-29(3)16(2)17-7-10-24(22(27)15-17)30-12-11-23(25(30)31)28-34(32,33)21-9-6-18-13-20(26)8-5-19(18)14-21/h5-10,13-16,23,28H,4,11-12H2,1-3H3
InChIKeyGZEWCAHSAJHYKK-UHFFFAOYSA-N
MW504.03 g/mol
LogP4.73
Rot. Bonds7

About 6-chloro-N-[1-[4-[1-[ethyl(methyl)amino]ethyl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide

6-chloro-N-[1-[4-[1-[ethyl(methyl)amino]ethyl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 11249134) has the molecular formula C25H27ClFN3O3S and a molecular weight of 504.03 g/mol. Its IUPAC name is 6-chloro-N-[1-[4-[1-[ethyl(methyl)amino]ethyl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[1-[4-[1-[ethyl(methyl)amino]ethyl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
PubChem CID11249134
Molecular FormulaC25H27ClFN3O3S
Molecular Weight504.03 g/mol
Exact Mass503.14
IUPAC Name6-chloro-N-[1-[4-[1-[ethyl(methyl)amino]ethyl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESCCN(C)C(C)c1ccc(N2CCC(NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1
InChIInChI=1S/C25H27ClFN3O3S/c1-4-29(3)16(2)17-7-10-24(22(27)15-17)30-12-11-23(25(30)31)28-34(32,33)21-9-6-18-13-20(26)8-5-19(18)14-21/h5-10,13-16,23,28H,4,11-12H2,1-3H3
InChIKeyGZEWCAHSAJHYKK-UHFFFAOYSA-N
XLogP4.73
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.03
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[1-[4-[1-[ethyl(methyl)amino]ethyl]-2-fluorophenyl]-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-[1-[4-[1-[ethyl(methyl)amino]ethyl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of 6-chloro-N-[1-[4-[1-[ethyl(methyl)amino]ethyl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide (CID 11249134) is 6-chloro-N-[1-[4-[1-[ethyl(methyl)amino]ethyl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-chloro-N-[1-[4-[1-[ethyl(methyl)amino]ethyl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-chloro-N-[1-[4-[1-[ethyl(methyl)amino]ethyl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide is CCN(C)C(C)c1ccc(N2CCC(NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1.
What is the InChIKey of 6-chloro-N-[1-[4-[1-[ethyl(methyl)amino]ethyl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is GZEWCAHSAJHYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClFN3O3S/c1-4-29(3)16(2)17-7-10-24(22(27)15-17)30-12-11-23(25(30)31)28-34(32,33)21-9-6-18-13-20(26)8-5-19(18)14-21/h5-10,13-16,23,28H,4,11-12H2,1-3H3.
What are the key properties of 6-chloro-N-[1-[4-[1-[ethyl(methyl)amino]ethyl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
6-chloro-N-[1-[4-[1-[ethyl(methyl)amino]ethyl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 504.03 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[4-[1-[ethyl(methyl)amino]ethyl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 11249134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).