N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline

C15H25N3O2S — CID 63605307

IUPACN-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline
SMILESCCNc1ccc(S(=O)(=O)N2CCN(CC)C(C)C2)cc1
InChIInChI=1S/C15H25N3O2S/c1-4-16-14-6-8-15(9-7-14)21(19,20)18-11-10-17(5-2)13(3)12-18/h6-9,13,16H,4-5,10-12H2,1-3H3
InChIKeyCLRRFERWRZSYRE-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.83
Rot. Bonds5

About N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline

N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline (PubChem CID 63605307) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline.

Molecular Properties

Compound NameN-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline
PubChem CID63605307
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline
SMILESCCNc1ccc(S(=O)(=O)N2CCN(CC)C(C)C2)cc1
InChIInChI=1S/C15H25N3O2S/c1-4-16-14-6-8-15(9-7-14)21(19,20)18-11-10-17(5-2)13(3)12-18/h6-9,13,16H,4-5,10-12H2,1-3H3
InChIKeyCLRRFERWRZSYRE-UHFFFAOYSA-N
XLogP1.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline
CID 62149446
2-[4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylphenyl]acetonitrile
CID 79203535
N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63605654
4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63605128
[5-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]methanamine
CID 114613509
2-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline
CID 63604949
N-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
CID 63162308
1-[4-(ethylamino)phenyl]sulfonyl-N,N,4-trimethylpyrrolidin-3-amine
CID 81463975
N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 106588733
4-(2,4-dibromophenyl)sulfonyl-1-ethyl-2-methylpiperazine
CID 63605466
N-ethyl-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
CID 62157747
4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one
CID 62144052

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline?
The IUPAC name of N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline (CID 63605307) is N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline.
What is the SMILES notation for N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline?
The canonical SMILES for N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline is CCNc1ccc(S(=O)(=O)N2CCN(CC)C(C)C2)cc1.
What is the InChIKey of N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline?
The InChIKey is CLRRFERWRZSYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-16-14-6-8-15(9-7-14)21(19,20)18-11-10-17(5-2)13(3)12-18/h6-9,13,16H,4-5,10-12H2,1-3H3.
What are the key properties of N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline?
N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline has a molecular weight of 311.45 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline is sourced from PubChem (CID 63605307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).