1-(2-chloroprop-2-enyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium

C16H24ClN2O2S+ — CID 8689036

IUPAC1-(2-chloroprop-2-enyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium
SMILESC=C(Cl)C[NH+]1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C16H23ClN2O2S/c1-12-9-13(2)16(14(3)10-12)22(20,21)19-7-5-18(6-8-19)11-15(4)17/h9-10H,4-8,11H2,1-3H3/p+1
InChIKeyFYCHSGKCQWHHON-UHFFFAOYSA-O
MW343.90 g/mol
LogP1.25
Rot. Bonds4

About 1-(2-chloroprop-2-enyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium

1-(2-chloroprop-2-enyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium (PubChem CID 8689036) has the molecular formula C16H24ClN2O2S+ and a molecular weight of 343.90 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium
PubChem CID8689036
Molecular FormulaC16H24ClN2O2S+
Molecular Weight343.90 g/mol
Exact Mass343.12
IUPAC Name1-(2-chloroprop-2-enyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium
SMILESC=C(Cl)C[NH+]1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C16H23ClN2O2S/c1-12-9-13(2)16(14(3)10-12)22(20,21)19-7-5-18(6-8-19)11-15(4)17/h9-10H,4-8,11H2,1-3H3/p+1
InChIKeyFYCHSGKCQWHHON-UHFFFAOYSA-O
XLogP1.25
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone
CID 9398805
1-[(4-nitrophenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium
CID 8748116
1-(2-methylsulfonylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 95753283
1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 26945213
N,N-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide
CID 971390
(2S)-N-ethyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8689073
ethyl 4-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818639
1-(2-chloroprop-2-enyl)-4-(2-nitrophenyl)sulfonylpiperazin-1-ium
CID 8687773
(2S)-2-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 30288288
1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 110817632
N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 119990592
1-[2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]imidazolidin-2-one
CID 8747738

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium?
The IUPAC name of 1-(2-chloroprop-2-enyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium (CID 8689036) is 1-(2-chloroprop-2-enyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium is C=C(Cl)C[NH+]1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium?
The InChIKey is FYCHSGKCQWHHON-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23ClN2O2S/c1-12-9-13(2)16(14(3)10-12)22(20,21)19-7-5-18(6-8-19)11-15(4)17/h9-10H,4-8,11H2,1-3H3/p+1.
What are the key properties of 1-(2-chloroprop-2-enyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium?
1-(2-chloroprop-2-enyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium has a molecular weight of 343.90 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium is sourced from PubChem (CID 8689036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).