4-(3-chlorophenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine

C16H25ClN2O3S — CID 110602234

IUPAC4-(3-chlorophenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine
SMILESCOCCCN1C(C)CN(S(=O)(=O)c2cccc(Cl)c2)CC1C
InChIInChI=1S/C16H25ClN2O3S/c1-13-11-18(12-14(2)19(13)8-5-9-22-3)23(20,21)16-7-4-6-15(17)10-16/h4,6-7,10,13-14H,5,8-9,11-12H2,1-3H3
InChIKeyUJCQLQAMRXYLCI-UHFFFAOYSA-N
MW360.91 g/mol
LogP2.46
Rot. Bonds6

About 4-(3-chlorophenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine

4-(3-chlorophenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine (PubChem CID 110602234) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is 4-(3-chlorophenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine.

Molecular Properties

Compound Name4-(3-chlorophenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine
PubChem CID110602234
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name4-(3-chlorophenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine
SMILESCOCCCN1C(C)CN(S(=O)(=O)c2cccc(Cl)c2)CC1C
InChIInChI=1S/C16H25ClN2O3S/c1-13-11-18(12-14(2)19(13)8-5-9-22-3)23(20,21)16-7-4-6-15(17)10-16/h4,6-7,10,13-14H,5,8-9,11-12H2,1-3H3
InChIKeyUJCQLQAMRXYLCI-UHFFFAOYSA-N
XLogP2.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxypropyl)-2,6-dimethyl-4-(3-nitrophenyl)sulfonylpiperazine
CID 110413086
4-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine
CID 110602206
4-(3-chlorophenyl)sulfonyl-2,6-dimethyl-1-phenylpiperazine
CID 110413210
1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 18074509
4-ethylsulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine
CID 110413041
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1-(2-methoxyethyl)-2,6-dimethylpiperazine
CID 110308375
(2R)-2-[(2S)-butan-2-yl]-8-(3-chlorophenyl)sulfonyl-4-(3-methoxypropyl)-1,4,8-triazaspiro[4.5]decan-3-one
CID 93146211
1-(3-methoxypropyl)-2,6-dimethyl-4-[(2-methylphenyl)methylsulfonyl]piperazine
CID 110413068
(3S,4S)-1-(3-chlorophenyl)sulfonyl-4-(dimethylamino)pyrrolidin-3-ol
CID 131891133
1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine
CID 110662414
4-cyclopentylsulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine
CID 110616538
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119678902

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine?
The IUPAC name of 4-(3-chlorophenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine (CID 110602234) is 4-(3-chlorophenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine.
What is the SMILES notation for 4-(3-chlorophenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine?
The canonical SMILES for 4-(3-chlorophenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine is COCCCN1C(C)CN(S(=O)(=O)c2cccc(Cl)c2)CC1C.
What is the InChIKey of 4-(3-chlorophenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine?
The InChIKey is UJCQLQAMRXYLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3S/c1-13-11-18(12-14(2)19(13)8-5-9-22-3)23(20,21)16-7-4-6-15(17)10-16/h4,6-7,10,13-14H,5,8-9,11-12H2,1-3H3.
What are the key properties of 4-(3-chlorophenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine?
4-(3-chlorophenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine has a molecular weight of 360.91 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine is sourced from PubChem (CID 110602234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).