4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide

C21H24ClN3O3S — CID 27799353

IUPAC4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H24ClN3O3S/c1-2-11-23-29(27,28)20-9-5-18(6-10-20)21(26)25-14-12-24(13-15-25)16-17-3-7-19(22)8-4-17/h2-10,23H,1,11-16H2
InChIKeyZFNSCGXGYBYABD-UHFFFAOYSA-N
MW433.96 g/mol
LogP2.76
Rot. Bonds7

About 4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide

4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide (PubChem CID 27799353) has the molecular formula C21H24ClN3O3S and a molecular weight of 433.96 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
PubChem CID27799353
Molecular FormulaC21H24ClN3O3S
Molecular Weight433.96 g/mol
Exact Mass433.12
IUPAC Name4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H24ClN3O3S/c1-2-11-23-29(27,28)20-9-5-18(6-10-20)21(26)25-14-12-24(13-15-25)16-17-3-7-19(22)8-4-17/h2-10,23H,1,11-16H2
InChIKeyZFNSCGXGYBYABD-UHFFFAOYSA-N
XLogP2.76
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 34820558
[4-(azepan-1-ylsulfonyl)phenyl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 26173836
5-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 55595841
5-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 55913569
N-ethyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9226582
4-chloro-N-[2-[4-(piperidine-1-carbonyl)phenyl]ethyl]benzenesulfonamide
CID 54037896
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 9158819
(4-chlorophenyl)-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]methanone
CID 43065648
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
4-[[4-(4-chlorobenzoyl)piperazin-1-yl]methyl]benzonitrile
CID 15284673
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 27799031
4-(3-methylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 119580645

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide (CID 27799353) is 4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide?
The InChIKey is ZFNSCGXGYBYABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3S/c1-2-11-23-29(27,28)20-9-5-18(6-10-20)21(26)25-14-12-24(13-15-25)16-17-3-7-19(22)8-4-17/h2-10,23H,1,11-16H2.
What are the key properties of 4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide?
4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide has a molecular weight of 433.96 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 27799353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).