4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride

C20H26ClN3O3S — CID 120740299

IUPAC4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2ccc(S(=O)(=O)NC)cc2)cc1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-3-15-4-6-16(7-5-15)19-14-22-12-13-23(19)20(24)17-8-10-18(11-9-17)27(25,26)21-2;/h4-11,19,21-22H,3,12-14H2,1-2H3;1H
InChIKeyWTVJFPCYVGWBBM-UHFFFAOYSA-N
MW423.97 g/mol
LogP2.37
Rot. Bonds5

About 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride

4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride (PubChem CID 120740299) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride
PubChem CID120740299
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC Name4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2ccc(S(=O)(=O)NC)cc2)cc1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-3-15-4-6-16(7-5-15)19-14-22-12-13-23(19)20(24)17-8-10-18(11-9-17)27(25,26)21-2;/h4-11,19,21-22H,3,12-14H2,1-2H3;1H
InChIKeyWTVJFPCYVGWBBM-UHFFFAOYSA-N
XLogP2.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylpyridine-2-carboxamide;hydrochloride
CID 120741592
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120740518
[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 120740519
N-ethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 120737744
[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 120740222
N-[[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide
CID 120740627
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone
CID 120741179
[2-(4-ethylphenyl)piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 120741073
[2-(4-ethylphenyl)piperazin-1-yl]-[4-(oxan-4-yloxy)phenyl]methanone
CID 120740228
[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 120740889

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride (CID 120740299) is 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride is CCc1ccc(C2CNCCN2C(=O)c2ccc(S(=O)(=O)NC)cc2)cc1.Cl.
What is the InChIKey of 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride?
The InChIKey is WTVJFPCYVGWBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c1-3-15-4-6-16(7-5-15)19-14-22-12-13-23(19)20(24)17-8-10-18(11-9-17)27(25,26)21-2;/h4-11,19,21-22H,3,12-14H2,1-2H3;1H.
What are the key properties of 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride?
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120740299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).