N-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide

C23H22ClN3O3S — CID 4806668

IUPACN-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H22ClN3O3S/c24-21-11-4-5-12-22(21)25-31(29,30)20-10-6-7-18(17-20)23(28)27-15-13-26(14-16-27)19-8-2-1-3-9-19/h1-12,17,25H,13-16H2
InChIKeyLIEDRKKXPFSGNT-UHFFFAOYSA-N
MW455.97 g/mol
LogP4.10
Rot. Bonds5

About N-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide

N-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 4806668) has the molecular formula C23H22ClN3O3S and a molecular weight of 455.97 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID4806668
Molecular FormulaC23H22ClN3O3S
Molecular Weight455.97 g/mol
Exact Mass455.11
IUPAC NameN-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H22ClN3O3S/c24-21-11-4-5-12-22(21)25-31(29,30)20-10-6-7-18(17-20)23(28)27-15-13-26(14-16-27)19-8-2-1-3-9-19/h1-12,17,25H,13-16H2
InChIKeyLIEDRKKXPFSGNT-UHFFFAOYSA-N
XLogP4.10
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 55821932
N-(4-chlorophenyl)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 26693557
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
3-[4-(4-cyanophenyl)-1,4-diazepane-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 55721061
N-(2-chlorophenyl)-3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)benzenesulfonamide
CID 2309239
4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 2989258
N-[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55821169
N-[2-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 30395425
N-[2-chloro-4-(4-formylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 92683589
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-(2-chlorophenyl)piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 27005566

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide (CID 4806668) is N-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide is O=C(c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is LIEDRKKXPFSGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3S/c24-21-11-4-5-12-22(21)25-31(29,30)20-10-6-7-18(17-20)23(28)27-15-13-26(14-16-27)19-8-2-1-3-9-19/h1-12,17,25H,13-16H2.
What are the key properties of N-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
N-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 455.97 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 4806668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).