2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide

C15H22ClN3O3S — CID 29196399

IUPAC2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CCNC(=O)CCl)CC2)cc1
InChIInChI=1S/C15H22ClN3O3S/c1-13-2-4-14(5-3-13)23(21,22)19-10-8-18(9-11-19)7-6-17-15(20)12-16/h2-5H,6-12H2,1H3,(H,17,20)
InChIKeyQXQYRYOJAZOZFG-UHFFFAOYSA-N
MW359.88 g/mol
LogP0.66
Rot. Bonds6

About 2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide

2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide (PubChem CID 29196399) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
PubChem CID29196399
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC Name2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CCNC(=O)CCl)CC2)cc1
InChIInChI=1S/C15H22ClN3O3S/c1-13-2-4-14(5-3-13)23(21,22)19-10-8-18(9-11-19)7-6-17-15(20)12-16/h2-5H,6-12H2,1H3,(H,17,20)
InChIKeyQXQYRYOJAZOZFG-UHFFFAOYSA-N
XLogP0.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide
CID 18571803
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 31341519
2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571824
4-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide
CID 29196602
1-(4-methylphenyl)sulfonyl-4-[2-(sulfinoamino)ethyl]piperazine
CID 71192302
2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 50767882
N-[2-(methylamino)ethyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide;dihydrochloride
CID 119501378
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 18571835
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 20933692
2-(3-methoxyphenoxy)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 16826979
3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 20933689
4-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]butanoic acid
CID 119352613

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide (CID 29196399) is 2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide is Cc1ccc(S(=O)(=O)N2CCN(CCNC(=O)CCl)CC2)cc1.
What is the InChIKey of 2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide?
The InChIKey is QXQYRYOJAZOZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S/c1-13-2-4-14(5-3-13)23(21,22)19-10-8-18(9-11-19)7-6-17-15(20)12-16/h2-5H,6-12H2,1H3,(H,17,20).
What are the key properties of 2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide?
2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide has a molecular weight of 359.88 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 29196399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).