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

C24H24ClN3O3S — CID 2473148

IUPAC4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C24H24ClN3O3S/c1-26(20-7-3-2-4-8-20)32(30,31)21-13-11-19(12-14-21)24(29)28-17-15-27(16-18-28)23-10-6-5-9-22(23)25/h2-14H,15-18H2,1H3
InChIKeyAHANQASRXBRTIL-UHFFFAOYSA-N
MW469.99 g/mol
LogP4.13
Rot. Bonds5

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

4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide (PubChem CID 2473148) has the molecular formula C24H24ClN3O3S and a molecular weight of 469.99 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
PubChem CID2473148
Molecular FormulaC24H24ClN3O3S
Molecular Weight469.99 g/mol
Exact Mass469.12
IUPAC Name4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C24H24ClN3O3S/c1-26(20-7-3-2-4-8-20)32(30,31)21-13-11-19(12-14-21)24(29)28-17-15-27(16-18-28)23-10-6-5-9-22(23)25/h2-14H,15-18H2,1H3
InChIKeyAHANQASRXBRTIL-UHFFFAOYSA-N
XLogP4.13
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.99
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide
CID 44160268
4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 2485627
N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1041096
4-[(3-Chlorophenyl)sulfamoyl]-~{n}-(Phenylmethyl)-~{n}-Propyl-Benzamide
CID 126970809
2-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 164618208
N-(2-chlorobenzyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1019165
N-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 2315073
3-(4-benzylpiperazine-1-carbonyl)-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 2438347
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2531485
2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4571173
N-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 4783068
N-benzyl-N-methyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4789349

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide (CID 2473148) is 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1.
What is the InChIKey of 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide?
The InChIKey is AHANQASRXBRTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3S/c1-26(20-7-3-2-4-8-20)32(30,31)21-13-11-19(12-14-21)24(29)28-17-15-27(16-18-28)23-10-6-5-9-22(23)25/h2-14H,15-18H2,1H3.
What are the key properties of 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide?
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide has a molecular weight of 469.99 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 2473148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).