2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide

C13H18ClN3O4S — CID 100814466

IUPAC2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide
SMILESCN1CCN(S(=O)(=O)c2ccc(OCC(N)=O)c(Cl)c2)CC1
InChIInChI=1S/C13H18ClN3O4S/c1-16-4-6-17(7-5-16)22(19,20)10-2-3-12(11(14)8-10)21-9-13(15)18/h2-3,8H,4-7,9H2,1H3,(H2,15,18)
InChIKeyZOGQFTMMRYUPQP-UHFFFAOYSA-N
MW347.82 g/mol
LogP0.14
Rot. Bonds5

About 2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide

2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide (PubChem CID 100814466) has the molecular formula C13H18ClN3O4S and a molecular weight of 347.82 g/mol. Its IUPAC name is 2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide
PubChem CID100814466
Molecular FormulaC13H18ClN3O4S
Molecular Weight347.82 g/mol
Exact Mass347.07
IUPAC Name2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide
SMILESCN1CCN(S(=O)(=O)c2ccc(OCC(N)=O)c(Cl)c2)CC1
InChIInChI=1S/C13H18ClN3O4S/c1-16-4-6-17(7-5-16)22(19,20)10-2-3-12(11(14)8-10)21-9-13(15)18/h2-3,8H,4-7,9H2,1H3,(H2,15,18)
InChIKeyZOGQFTMMRYUPQP-UHFFFAOYSA-N
XLogP0.14
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]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

2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4667285
2-(4-bromo-2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 4922905
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate
CID 7457826
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 3306707
1-[4-(3-chloro-4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817212
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 27161142
2-[2-chloro-4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 99968118
2-chloro-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 22012946
2-[2-chloro-4-[(3S)-3-fluoropyrrolidin-1-yl]sulfonylphenoxy]acetic acid
CID 154841751
2-ethoxy-N'-hydroxy-5-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide
CID 58596086
2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 1226684
methyl 2-[4-(4-benzhydrylpiperazin-1-yl)sulfonyl-2-chlorophenoxy]acetate
CID 126258422

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide?
The IUPAC name of 2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide (CID 100814466) is 2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide is CN1CCN(S(=O)(=O)c2ccc(OCC(N)=O)c(Cl)c2)CC1.
What is the InChIKey of 2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide?
The InChIKey is ZOGQFTMMRYUPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O4S/c1-16-4-6-17(7-5-16)22(19,20)10-2-3-12(11(14)8-10)21-9-13(15)18/h2-3,8H,4-7,9H2,1H3,(H2,15,18).
What are the key properties of 2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide?
2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide has a molecular weight of 347.82 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide is sourced from PubChem (CID 100814466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).