4-(2,3-dichlorophenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide

C19H20Cl2FN3O4S — CID 38336469

IUPAC4-(2,3-dichlorophenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCOc1cccc(F)c1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C19H20Cl2FN3O4S/c20-16-5-2-6-17(18(16)21)30(27,28)25-10-8-24(9-11-25)19(26)23-7-12-29-15-4-1-3-14(22)13-15/h1-6,13H,7-12H2,(H,23,26)
InChIKeyRIWHCDJFZWVERU-UHFFFAOYSA-N
MW476.36 g/mol
LogP3.23
Rot. Bonds6

About 4-(2,3-dichlorophenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide

4-(2,3-dichlorophenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide (PubChem CID 38336469) has the molecular formula C19H20Cl2FN3O4S and a molecular weight of 476.36 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide
PubChem CID38336469
Molecular FormulaC19H20Cl2FN3O4S
Molecular Weight476.36 g/mol
Exact Mass475.05
IUPAC Name4-(2,3-dichlorophenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCOc1cccc(F)c1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C19H20Cl2FN3O4S/c20-16-5-2-6-17(18(16)21)30(27,28)25-10-8-24(9-11-25)19(26)23-7-12-29-15-4-1-3-14(22)13-15/h1-6,13H,7-12H2,(H,23,26)
InChIKeyRIWHCDJFZWVERU-UHFFFAOYSA-N
XLogP3.23
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2,3-dichlorophenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(2,4-dimethylphenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide
CID 38336408
N-[2-(3-fluorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide
CID 112970333
N-[2-(3-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112970343
N-[2-(3-fluorophenoxy)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 38336448
3-(3-chlorophenoxy)-1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 39944808
4-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 112969930
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112972956
4-(2,3-dichlorophenyl)sulfonyl-N-[[2-(ethoxymethyl)phenyl]methyl]piperazine-1-carboxamide
CID 34721841
ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate
CID 26947781
4-chloro-N-[2-(3-methylphenoxy)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17488166
N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112971818
4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 110811098

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,3-dichlorophenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide (CID 38336469) is 4-(2,3-dichlorophenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,3-dichlorophenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,3-dichlorophenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide is O=C(NCCOc1cccc(F)c1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 4-(2,3-dichlorophenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide?
The InChIKey is RIWHCDJFZWVERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2FN3O4S/c20-16-5-2-6-17(18(16)21)30(27,28)25-10-8-24(9-11-25)19(26)23-7-12-29-15-4-1-3-14(22)13-15/h1-6,13H,7-12H2,(H,23,26).
What are the key properties of 4-(2,3-dichlorophenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide?
4-(2,3-dichlorophenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide has a molecular weight of 476.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)sulfonyl-N-[2-(3-fluorophenoxy)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 38336469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).