3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N,4-trimethylbenzenesulfonamide

C20H24ClN3O3S — CID 9146351

IUPAC3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H24ClN3O3S/c1-15-7-8-18(28(26,27)22(2)3)14-19(15)20(25)24-11-9-23(10-12-24)17-6-4-5-16(21)13-17/h4-8,13-14H,9-12H2,1-3H3
InChIKeyPDYMKEOWHRIHOA-UHFFFAOYSA-N
MW421.95 g/mol
LogP2.86
Rot. Bonds4

About 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N,4-trimethylbenzenesulfonamide

3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N,4-trimethylbenzenesulfonamide (PubChem CID 9146351) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N,4-trimethylbenzenesulfonamide
PubChem CID9146351
Molecular FormulaC20H24ClN3O3S
Molecular Weight421.95 g/mol
Exact Mass421.12
IUPAC Name3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H24ClN3O3S/c1-15-7-8-18(28(26,27)22(2)3)14-19(15)20(25)24-11-9-23(10-12-24)17-6-4-5-16(21)13-17/h4-8,13-14H,9-12H2,1-3H3
InChIKeyPDYMKEOWHRIHOA-UHFFFAOYSA-N
XLogP2.86
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N,N-dimethyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 27243877
4-chloro-3-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 46478927
[5-[(4-chlorophenyl)methylsulfonyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 152814620
4-chloro-3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 26696137
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide
CID 78802366
N-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide
CID 2967350
[5-(azepan-1-ylsulfonyl)-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 28590325
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 126120205
N,N,4-trimethyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
CID 17479375
(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 8967500
N,N-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
CID 2401851

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N,4-trimethylbenzenesulfonamide?
The IUPAC name of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N,4-trimethylbenzenesulfonamide (CID 9146351) is 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N,4-trimethylbenzenesulfonamide.
What is the SMILES notation for 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N,4-trimethylbenzenesulfonamide?
The canonical SMILES for 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N,4-trimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N,4-trimethylbenzenesulfonamide?
The InChIKey is PDYMKEOWHRIHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3S/c1-15-7-8-18(28(26,27)22(2)3)14-19(15)20(25)24-11-9-23(10-12-24)17-6-4-5-16(21)13-17/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N,4-trimethylbenzenesulfonamide?
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N,4-trimethylbenzenesulfonamide has a molecular weight of 421.95 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N,N,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 9146351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).