4-(3-aminophenyl)-N,N-diethylpiperazine-1-sulfonamide

C14H24N4O2S — CID 43461730

IUPAC4-(3-aminophenyl)-N,N-diethylpiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C14H24N4O2S/c1-3-17(4-2)21(19,20)18-10-8-16(9-11-18)14-7-5-6-13(15)12-14/h5-7,12H,3-4,8-11,15H2,1-2H3
InChIKeyUSMCLXQCAKCZSX-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.98
Rot. Bonds5

About 4-(3-aminophenyl)-N,N-diethylpiperazine-1-sulfonamide

4-(3-aminophenyl)-N,N-diethylpiperazine-1-sulfonamide (PubChem CID 43461730) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-(3-aminophenyl)-N,N-diethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-aminophenyl)-N,N-diethylpiperazine-1-sulfonamide
PubChem CID43461730
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name4-(3-aminophenyl)-N,N-diethylpiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C14H24N4O2S/c1-3-17(4-2)21(19,20)18-10-8-16(9-11-18)14-7-5-6-13(15)12-14/h5-7,12H,3-4,8-11,15H2,1-2H3
InChIKeyUSMCLXQCAKCZSX-UHFFFAOYSA-N
XLogP0.98
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminophenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 61455535
4-(3-aminophenyl)-N-tert-butylpiperazine-1-sulfonamide
CID 114804451
4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide
CID 79153554
N,N-diethyl-4-(4-nitrophenyl)piperazine-1-sulfonamide
CID 31753109
N-(3-aminophenyl)-N-ethylazepane-1-sulfonamide
CID 63230096
3-[4-(1H-pyrrol-3-ylsulfonyl)piperazin-1-yl]aniline
CID 43607049
3-(4-ethyl-1,4-diazepan-1-yl)aniline
CID 22330011
1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 43461708
N,N-diethyl-4-[2-methyl-6-[(2S)-pyrrolidin-2-yl]-4-pyridinyl]piperazine-1-sulfonamide
CID 92619675
1-(3-aminophenyl)-N,N-diethylpyrrolidin-3-amine
CID 63168616
2-[4-(3-aminophenyl)piperazin-1-yl]-N-propylpropanamide
CID 43461777
4-(1,3-benzoxazol-2-yl)-N,N-diethylpiperazine-1-sulfonamide
CID 33324562

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-N,N-diethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(3-aminophenyl)-N,N-diethylpiperazine-1-sulfonamide (CID 43461730) is 4-(3-aminophenyl)-N,N-diethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-aminophenyl)-N,N-diethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(3-aminophenyl)-N,N-diethylpiperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(c2cccc(N)c2)CC1.
What is the InChIKey of 4-(3-aminophenyl)-N,N-diethylpiperazine-1-sulfonamide?
The InChIKey is USMCLXQCAKCZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-3-17(4-2)21(19,20)18-10-8-16(9-11-18)14-7-5-6-13(15)12-14/h5-7,12H,3-4,8-11,15H2,1-2H3.
What are the key properties of 4-(3-aminophenyl)-N,N-diethylpiperazine-1-sulfonamide?
4-(3-aminophenyl)-N,N-diethylpiperazine-1-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-N,N-diethylpiperazine-1-sulfonamide is sourced from PubChem (CID 43461730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).