[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone

C14H19N3O3S — CID 61113905

IUPAC[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone
SMILESNc1cccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C14H19N3O3S/c15-12-2-1-3-13(10-12)21(19,20)17-8-6-16(7-9-17)14(18)11-4-5-11/h1-3,10-11H,4-9,15H2
InChIKeyHXOGUHQGOKPWIW-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.51
Rot. Bonds3

About [4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone

[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone (PubChem CID 61113905) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is [4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone
PubChem CID61113905
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone
SMILESNc1cccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C14H19N3O3S/c15-12-2-1-3-13(10-12)21(19,20)17-8-6-16(7-9-17)14(18)11-4-5-11/h1-3,10-11H,4-9,15H2
InChIKeyHXOGUHQGOKPWIW-UHFFFAOYSA-N
XLogP0.51
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.51
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

cyclopropyl-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 8925087
cyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818032
3-(azepan-1-ylsulfonyl)aniline
CID 5004919
cyclobutyl-[4-(3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 110799404
3-(azetidin-1-ylsulfonyl)aniline
CID 130546539
3-(4-methylpiperidin-1-yl)sulfonylaniline
CID 3170436
4-(3-aminophenyl)sulfonyl-N-ethylpiperazine-1-carboxamide
CID 61127355
1-[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone
CID 61109396
cyclobutyl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 8924343
cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110817571
[4-[(2-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-cyclopropylmethanone
CID 65425898
1-(3-aminophenyl)sulfonylpyrrolidin-3-ol
CID 62917852

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone (CID 61113905) is [4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone is Nc1cccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)c1.
What is the InChIKey of [4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone?
The InChIKey is HXOGUHQGOKPWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c15-12-2-1-3-13(10-12)21(19,20)17-8-6-16(7-9-17)14(18)11-4-5-11/h1-3,10-11H,4-9,15H2.
What are the key properties of [4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone?
[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone has a molecular weight of 309.39 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 61113905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).