5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline

C13H21N3O3S — CID 29040961

IUPAC5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline
SMILESCCN1CCN(S(=O)(=O)c2ccc(OC)c(N)c2)CC1
InChIInChI=1S/C13H21N3O3S/c1-3-15-6-8-16(9-7-15)20(17,18)11-4-5-13(19-2)12(14)10-11/h4-5,10H,3,6-9,14H2,1-2H3
InChIKeyONYCDLBSGNFAQL-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.60
Rot. Bonds4

About 5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline

5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline (PubChem CID 29040961) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline
PubChem CID29040961
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline
SMILESCCN1CCN(S(=O)(=O)c2ccc(OC)c(N)c2)CC1
InChIInChI=1S/C13H21N3O3S/c1-3-15-6-8-16(9-7-15)20(17,18)11-4-5-13(19-2)12(14)10-11/h4-5,10H,3,6-9,14H2,1-2H3
InChIKeyONYCDLBSGNFAQL-UHFFFAOYSA-N
XLogP0.60
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine
CID 39730317
5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline
CID 62937387
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-2-methoxyaniline
CID 115558795
1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 51260705
[1-(3-amino-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623894
2-methoxy-5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]aniline
CID 114407928
2-bromo-5-(4-ethylpiperazin-1-yl)sulfonyl-4-methoxyaniline
CID 81396910
1-ethyl-4-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperazine
CID 1190535
1-[3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonyl-4-ethylpiperazine
CID 46088911
2-(2-methoxyphenoxy)-5-piperidin-1-ylsulfonylaniline
CID 3543051
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 60857328

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline (CID 29040961) is 5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline is CCN1CCN(S(=O)(=O)c2ccc(OC)c(N)c2)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline?
The InChIKey is ONYCDLBSGNFAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-15-6-8-16(9-7-15)20(17,18)11-4-5-13(19-2)12(14)10-11/h4-5,10H,3,6-9,14H2,1-2H3.
What are the key properties of 5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline?
5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline has a molecular weight of 299.40 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline is sourced from PubChem (CID 29040961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).