1-(2-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium

C15H17Cl2N2O2S2+ — CID 9301474

IUPAC1-(2-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium
SMILESO=S(=O)(c1ccccc1Cl)N1CC[NH+](Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C15H16Cl2N2O2S2/c16-13-3-1-2-4-14(13)23(20,21)19-9-7-18(8-10-19)11-12-5-6-15(17)22-12/h1-6H,7-11H2/p+1
InChIKeyVLSKVPDLGHNENX-UHFFFAOYSA-O
MW392.35 g/mol
LogP2.14
Rot. Bonds4

About 1-(2-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium

1-(2-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium (PubChem CID 9301474) has the molecular formula C15H17Cl2N2O2S2+ and a molecular weight of 392.35 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium
PubChem CID9301474
Molecular FormulaC15H17Cl2N2O2S2+
Molecular Weight392.35 g/mol
Exact Mass391.01
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium
SMILESO=S(=O)(c1ccccc1Cl)N1CC[NH+](Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C15H16Cl2N2O2S2/c16-13-3-1-2-4-14(13)23(20,21)19-9-7-18(8-10-19)11-12-5-6-15(17)22-12/h1-6H,7-11H2/p+1
InChIKeyVLSKVPDLGHNENX-UHFFFAOYSA-O
XLogP2.14
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazin-1-ium
CID 9391389
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
1-(azocan-1-yl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone
CID 8693910
1-(2-chlorophenyl)sulfonyl-4-[3-(4-methoxyphenoxy)propyl]piperazin-4-ium
CID 8693896
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9391491
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8694004
5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120902713
1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine
CID 47454432
3-(chloromethyl)-1-(2-chlorophenyl)sulfonylpyrrolidine
CID 63400465
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-ethylphenyl)acetamide
CID 9391477
1-(2,3-dichlorophenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium
CID 8758193
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide
CID 9391502

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium (CID 9301474) is 1-(2-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium is O=S(=O)(c1ccccc1Cl)N1CC[NH+](Cc2ccc(Cl)s2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium?
The InChIKey is VLSKVPDLGHNENX-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16Cl2N2O2S2/c16-13-3-1-2-4-14(13)23(20,21)19-9-7-18(8-10-19)11-12-5-6-15(17)22-12/h1-6H,7-11H2/p+1.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium?
1-(2-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium has a molecular weight of 392.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium is sourced from PubChem (CID 9301474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).