N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline

C14H23N3O2S — CID 62149446

IUPACN-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline
SMILESCCNc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-3-15-13-5-7-14(8-6-13)20(18,19)17-11-9-16(4-2)10-12-17/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyNAEGNOGOGCHSGB-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.44
Rot. Bonds5

About N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline

N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline (PubChem CID 62149446) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline.

Molecular Properties

Compound NameN-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline
PubChem CID62149446
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline
SMILESCCNc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-3-15-13-5-7-14(8-6-13)20(18,19)17-11-9-16(4-2)10-12-17/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyNAEGNOGOGCHSGB-UHFFFAOYSA-N
XLogP1.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
CID 63162308
N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62149616
N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline
CID 63605307
4-(4-ethylpiperazin-1-yl)sulfonyl-N,N-dimethylbenzenesulfonamide
CID 1168552
1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine
CID 110757634
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide
CID 1429249
4-(4-methylpiperazin-1-yl)sulfonyl-N-propylaniline
CID 62148455
4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one
CID 62144052
1-[4-(ethylamino)phenyl]sulfonyl-4-methylazepan-4-ol
CID 107408422
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 39724550
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55429567

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline?
The IUPAC name of N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline (CID 62149446) is N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline.
What is the SMILES notation for N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline?
The canonical SMILES for N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline is CCNc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1.
What is the InChIKey of N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline?
The InChIKey is NAEGNOGOGCHSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-15-13-5-7-14(8-6-13)20(18,19)17-11-9-16(4-2)10-12-17/h5-8,15H,3-4,9-12H2,1-2H3.
What are the key properties of N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline?
N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline has a molecular weight of 297.42 g/mol, XLogP of 1.44, 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-ethylpiperazin-1-yl)sulfonylaniline is sourced from PubChem (CID 62149446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).