2-chloro-N-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

C22H20ClFN4O3S — CID 3922967

IUPAC2-chloro-N-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H20ClFN4O3S/c23-19-9-4-16(15-20(19)32(30,31)26-18-7-5-17(24)6-8-18)22(29)28-13-11-27(12-14-28)21-3-1-2-10-25-21/h1-10,15,26H,11-14H2
InChIKeyIUXWGDLQTIWFFR-UHFFFAOYSA-N
MW474.95 g/mol
LogP3.64
Rot. Bonds5

About 2-chloro-N-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

2-chloro-N-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 3922967) has the molecular formula C22H20ClFN4O3S and a molecular weight of 474.95 g/mol. Its IUPAC name is 2-chloro-N-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID3922967
Molecular FormulaC22H20ClFN4O3S
Molecular Weight474.95 g/mol
Exact Mass474.09
IUPAC Name2-chloro-N-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H20ClFN4O3S/c23-19-9-4-16(15-20(19)32(30,31)26-18-7-5-17(24)6-8-18)22(29)28-13-11-27(12-14-28)21-3-1-2-10-25-21/h1-10,15,26H,11-14H2
InChIKeyIUXWGDLQTIWFFR-UHFFFAOYSA-N
XLogP3.64
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide (CID 3922967) is 2-chloro-N-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide is O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-chloro-N-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is IUXWGDLQTIWFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O3S/c23-19-9-4-16(15-20(19)32(30,31)26-18-7-5-17(24)6-8-18)22(29)28-13-11-27(12-14-28)21-3-1-2-10-25-21/h1-10,15,26H,11-14H2.
What are the key properties of 2-chloro-N-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
2-chloro-N-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 474.95 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 3922967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).