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

C23H21ClFN3O3S — CID 26590719

IUPACN-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H21ClFN3O3S/c24-18-7-9-19(10-8-18)26-32(30,31)20-11-5-17(6-12-20)23(29)28-15-13-27(14-16-28)22-4-2-1-3-21(22)25/h1-12,26H,13-16H2
InChIKeyOBLKJRCWUJRNPF-UHFFFAOYSA-N
MW473.96 g/mol
LogP4.24
Rot. Bonds5

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

N-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 26590719) has the molecular formula C23H21ClFN3O3S and a molecular weight of 473.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID26590719
Molecular FormulaC23H21ClFN3O3S
Molecular Weight473.96 g/mol
Exact Mass473.10
IUPAC NameN-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H21ClFN3O3S/c24-18-7-9-19(10-8-18)26-32(30,31)20-11-5-17(6-12-20)23(29)28-15-13-27(14-16-28)22-4-2-1-3-21(22)25/h1-12,26H,13-16H2
InChIKeyOBLKJRCWUJRNPF-UHFFFAOYSA-N
XLogP4.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 26693557
N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 43009101
N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-4-chlorobenzenesulfonamide
CID 1056916
N-[4-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]-4-chlorobenzenesulfonamide
CID 44898462
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 100770479
4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 55821678
N-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 46770608
N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 39825155
N-(3,4-dimethylphenyl)-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 27825919
4-fluoro-N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3-methylbenzenesulfonamide
CID 55646338
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide (CID 26590719) is N-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide is O=C(c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is OBLKJRCWUJRNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O3S/c24-18-7-9-19(10-8-18)26-32(30,31)20-11-5-17(6-12-20)23(29)28-15-13-27(14-16-28)22-4-2-1-3-21(22)25/h1-12,26H,13-16H2.
What are the key properties of N-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide?
N-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 473.96 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 26590719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).