N-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide

C13H19N3O3S — CID 22273336

IUPACN-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCNC(C)C2)cc1
InChIInChI=1S/C13H19N3O3S/c1-10-9-16(8-7-14-10)20(18,19)13-5-3-12(4-6-13)15-11(2)17/h3-6,10,14H,7-9H2,1-2H3,(H,15,17)
InChIKeyZBTBWMBWICDMFK-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.63
Rot. Bonds3

About N-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide

N-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide (PubChem CID 22273336) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide
PubChem CID22273336
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCNC(C)C2)cc1
InChIInChI=1S/C13H19N3O3S/c1-10-9-16(8-7-14-10)20(18,19)13-5-3-12(4-6-13)15-11(2)17/h3-6,10,14H,7-9H2,1-2H3,(H,15,17)
InChIKeyZBTBWMBWICDMFK-UHFFFAOYSA-N
XLogP0.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-fluoro-4-[(3R)-3-methylpiperazin-1-yl]sulfonylphenyl]acetamide
CID 104974956
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
N,N-dimethyl-4-(3-methylpiperazin-1-yl)sulfonylbenzamide
CID 120710435
1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
CID 66582417
N-[4-(4-bromo-3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 114683689
4-[(3S)-3-methylpiperazin-1-yl]sulfonylbenzonitrile
CID 67348810
4-(3-methylpiperazin-1-yl)sulfonylbenzonitrile
CID 65449200
1-(4-ethylphenyl)sulfonyl-3-methylpiperazine
CID 65449390
(3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 59152114
4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride
CID 119981794
1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982135

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide (CID 22273336) is N-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCNC(C)C2)cc1.
What is the InChIKey of N-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is ZBTBWMBWICDMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-10-9-16(8-7-14-10)20(18,19)13-5-3-12(4-6-13)15-11(2)17/h3-6,10,14H,7-9H2,1-2H3,(H,15,17).
What are the key properties of N-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
N-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 297.38 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 22273336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).