2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide

C19H21ClFN3O3S — CID 26680947

IUPAC2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21ClFN3O3S/c20-17-3-1-2-4-18(17)28(26,27)22-10-9-19(25)24-13-11-23(12-14-24)16-7-5-15(21)6-8-16/h1-8,22H,9-14H2
InChIKeyOCTQYTNKWHFQDE-UHFFFAOYSA-N
MW425.91 g/mol
LogP2.50
Rot. Bonds6

About 2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide

2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide (PubChem CID 26680947) has the molecular formula C19H21ClFN3O3S and a molecular weight of 425.91 g/mol. Its IUPAC name is 2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
PubChem CID26680947
Molecular FormulaC19H21ClFN3O3S
Molecular Weight425.91 g/mol
Exact Mass425.10
IUPAC Name2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21ClFN3O3S/c20-17-3-1-2-4-18(17)28(26,27)22-10-9-19(25)24-13-11-23(12-14-24)16-7-5-15(21)6-8-16/h1-8,22H,9-14H2
InChIKeyOCTQYTNKWHFQDE-UHFFFAOYSA-N
XLogP2.50
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.91
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide 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

2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 9338930
2,5-dichloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 1006558
2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119403723
2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 55846108
N-[3-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-chlorobenzenesulfonamide
CID 55408215
3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027256
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 9207355
3-(2,6-dichloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109027122
4-fluoro-N-[3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55956692
N-butan-2-yl-2-[4-[3-[(2-chlorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]acetamide
CID 55884585
2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267368
3-(2-chloro-4,6-dimethylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027257

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide (CID 26680947) is 2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is OCTQYTNKWHFQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O3S/c20-17-3-1-2-4-18(17)28(26,27)22-10-9-19(25)24-13-11-23(12-14-24)16-7-5-15(21)6-8-16/h1-8,22H,9-14H2.
What are the key properties of 2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 425.91 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 26680947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).