4-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carboxamide

C17H16ClF2N3O3S — CID 39951230

IUPAC4-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C17H16ClF2N3O3S/c18-13-11-12(5-6-14(13)19)27(25,26)23-9-7-22(8-10-23)17(24)21-16-4-2-1-3-15(16)20/h1-6,11H,7-10H2,(H,21,24)
InChIKeyBSJHRBIQYWKLLY-UHFFFAOYSA-N
MW415.85 g/mol
LogP3.16
Rot. Bonds3

About 4-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carboxamide

4-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carboxamide (PubChem CID 39951230) has the molecular formula C17H16ClF2N3O3S and a molecular weight of 415.85 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carboxamide
PubChem CID39951230
Molecular FormulaC17H16ClF2N3O3S
Molecular Weight415.85 g/mol
Exact Mass415.06
IUPAC Name4-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C17H16ClF2N3O3S/c18-13-11-12(5-6-14(13)19)27(25,26)23-9-7-22(8-10-23)17(24)21-16-4-2-1-3-15(16)20/h1-6,11H,7-10H2,(H,21,24)
InChIKeyBSJHRBIQYWKLLY-UHFFFAOYSA-N
XLogP3.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.85
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carboxamide (CID 39951230) is 4-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carboxamide is O=C(Nc1ccccc1F)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is BSJHRBIQYWKLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N3O3S/c18-13-11-12(5-6-14(13)19)27(25,26)23-9-7-22(8-10-23)17(24)21-16-4-2-1-3-15(16)20/h1-6,11H,7-10H2,(H,21,24).
What are the key properties of 4-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carboxamide?
4-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 415.85 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 39951230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).