3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide

C24H23ClFN3O3S — CID 29465366

IUPAC3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C24H23ClFN3O3S/c25-20-7-3-5-18(15-20)17-28-11-13-29(14-12-28)24(30)19-6-4-8-21(16-19)33(31,32)27-23-10-2-1-9-22(23)26/h1-10,15-16,27H,11-14,17H2
InChIKeyRBTVFTYUHYYRLY-UHFFFAOYSA-N
MW487.98 g/mol
LogP4.24
Rot. Bonds6

About 3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide

3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide (PubChem CID 29465366) has the molecular formula C24H23ClFN3O3S and a molecular weight of 487.98 g/mol. Its IUPAC name is 3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
PubChem CID29465366
Molecular FormulaC24H23ClFN3O3S
Molecular Weight487.98 g/mol
Exact Mass487.11
IUPAC Name3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C24H23ClFN3O3S/c25-20-7-3-5-18(15-20)17-28-11-13-29(14-12-28)24(30)19-6-4-8-21(16-19)33(31,32)27-23-10-2-1-9-22(23)26/h1-10,15-16,27H,11-14,17H2
InChIKeyRBTVFTYUHYYRLY-UHFFFAOYSA-N
XLogP4.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.98
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-3-[4-(3-methylbutanoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 24660896
3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 55821932
N-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide
CID 67505065
3-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 46523841
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone;oxalic acid
CID 648267
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide;hydrochloride
CID 119484922
(5-bromo-2-fluorophenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 8642632
N-(5-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063322
N-(4-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063323
3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 55461328
3-[4-(4-cyanophenyl)-1,4-diazepane-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 55721061
N-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 4806668

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide?
The IUPAC name of 3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide (CID 29465366) is 3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide is O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide?
The InChIKey is RBTVFTYUHYYRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O3S/c25-20-7-3-5-18(15-20)17-28-11-13-29(14-12-28)24(30)19-6-4-8-21(16-19)33(31,32)27-23-10-2-1-9-22(23)26/h1-10,15-16,27H,11-14,17H2.
What are the key properties of 3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide?
3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide has a molecular weight of 487.98 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 29465366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).