N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-phenylpiperazine-1-sulfonamide

C19H23ClFN3O2S — CID 112811416

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-phenylpiperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C(c2ccccc2)C1
InChIInChI=1S/C19H23ClFN3O2S/c1-22-11-12-24(19(14-22)15-7-4-3-5-8-15)27(25,26)23(2)13-16-17(20)9-6-10-18(16)21/h3-10,19H,11-14H2,1-2H3
InChIKeyVDZVFGWCHLJTNL-UHFFFAOYSA-N
MW411.93 g/mol
LogP3.14
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-phenylpiperazine-1-sulfonamide

N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-phenylpiperazine-1-sulfonamide (PubChem CID 112811416) has the molecular formula C19H23ClFN3O2S and a molecular weight of 411.93 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-phenylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-phenylpiperazine-1-sulfonamide
PubChem CID112811416
Molecular FormulaC19H23ClFN3O2S
Molecular Weight411.93 g/mol
Exact Mass411.12
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-phenylpiperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C(c2ccccc2)C1
InChIInChI=1S/C19H23ClFN3O2S/c1-22-11-12-24(19(14-22)15-7-4-3-5-8-15)27(25,26)23(2)13-16-17(20)9-6-10-18(16)21/h3-10,19H,11-14H2,1-2H3
InChIKeyVDZVFGWCHLJTNL-UHFFFAOYSA-N
XLogP3.14
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-phenylpiperazine-1-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 N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-phenylpiperazine-1-sulfonamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-phenylpiperazine-1-sulfonamide (CID 112811416) is N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-phenylpiperazine-1-sulfonamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-phenylpiperazine-1-sulfonamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-phenylpiperazine-1-sulfonamide is CN1CCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)C(c2ccccc2)C1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-phenylpiperazine-1-sulfonamide?
The InChIKey is VDZVFGWCHLJTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFN3O2S/c1-22-11-12-24(19(14-22)15-7-4-3-5-8-15)27(25,26)23(2)13-16-17(20)9-6-10-18(16)21/h3-10,19H,11-14H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-phenylpiperazine-1-sulfonamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-phenylpiperazine-1-sulfonamide has a molecular weight of 411.93 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethyl-2-phenylpiperazine-1-sulfonamide is sourced from PubChem (CID 112811416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).