methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate

C14H18FN3O5S — CID 8749312

IUPACmethyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C14H18FN3O5S/c1-23-14(20)16-13(19)10-17-6-8-18(9-7-17)24(21,22)12-5-3-2-4-11(12)15/h2-5H,6-10H2,1H3,(H,16,19,20)
InChIKeyPMDBXQQEZQKCRU-UHFFFAOYSA-N
MW359.38 g/mol
LogP0.01
Rot. Bonds4

About methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate

methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate (PubChem CID 8749312) has the molecular formula C14H18FN3O5S and a molecular weight of 359.38 g/mol. Its IUPAC name is methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
PubChem CID8749312
Molecular FormulaC14H18FN3O5S
Molecular Weight359.38 g/mol
Exact Mass359.10
IUPAC Namemethyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C14H18FN3O5S/c1-23-14(20)16-13(19)10-17-6-8-18(9-7-17)24(21,22)12-5-3-2-4-11(12)15/h2-5H,6-10H2,1H3,(H,16,19,20)
InChIKeyPMDBXQQEZQKCRU-UHFFFAOYSA-N
XLogP0.01
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 8749430
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide
CID 8749460
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 17448409
N-(cyclopentylcarbamoyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8749172
N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3910808
N-[1-(4-bromophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 55353744
N-(2,5-dimethoxyphenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3652459
N-[1-(4-fluorophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 55353743
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 27185152
4-chloro-N'-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide
CID 5121585
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8749332
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide
CID 40702187

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate?
The IUPAC name of methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate (CID 8749312) is methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate.
What is the SMILES notation for methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate?
The canonical SMILES for methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate is COC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate?
The InChIKey is PMDBXQQEZQKCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O5S/c1-23-14(20)16-13(19)10-17-6-8-18(9-7-17)24(21,22)12-5-3-2-4-11(12)15/h2-5H,6-10H2,1H3,(H,16,19,20).
What are the key properties of methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate?
methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate has a molecular weight of 359.38 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate is sourced from PubChem (CID 8749312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).