3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide

C20H25N3O3S — CID 9336389

IUPAC3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
SMILESCCN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)CC1
InChIInChI=1S/C20H25N3O3S/c1-3-22-10-12-23(13-11-22)20(24)17-7-5-9-19(15-17)27(25,26)21-18-8-4-6-16(2)14-18/h4-9,14-15,21H,3,10-13H2,1-2H3
InChIKeyLDJKCGXFCZFTAA-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.57
Rot. Bonds5

About 3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide

3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 9336389) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
PubChem CID9336389
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
SMILESCCN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)CC1
InChIInChI=1S/C20H25N3O3S/c1-3-22-10-12-23(13-11-22)20(24)17-7-5-9-19(15-17)27(25,26)21-18-8-4-6-16(2)14-18/h4-9,14-15,21H,3,10-13H2,1-2H3
InChIKeyLDJKCGXFCZFTAA-UHFFFAOYSA-N
XLogP2.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
N-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 158352401
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
CID 24979802
N-(3-methylphenyl)-3-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 34743760
3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 119373314
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
CID 55348385
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775
N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063351
N-[2-(dimethylamino)ethyl]-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063964
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059175
N-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119576776
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide (CID 9336389) is 3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide is CCN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)CC1.
What is the InChIKey of 3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is LDJKCGXFCZFTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-3-22-10-12-23(13-11-22)20(24)17-7-5-9-19(15-17)27(25,26)21-18-8-4-6-16(2)14-18/h4-9,14-15,21H,3,10-13H2,1-2H3.
What are the key properties of 3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide?
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 387.51 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 9336389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).