[4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone

C13H17Cl2N3O4S2 — CID 55508764

IUPAC[4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C13H17Cl2N3O4S2/c14-11-9-10(12(15)23-11)24(20,21)18-3-1-16(2-4-18)13(19)17-5-7-22-8-6-17/h9H,1-8H2
InChIKeyQWVOYJYEHWAUIH-UHFFFAOYSA-N
MW414.34 g/mol
LogP1.81
Rot. Bonds2

About [4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone

[4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 55508764) has the molecular formula C13H17Cl2N3O4S2 and a molecular weight of 414.34 g/mol. Its IUPAC name is [4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID55508764
Molecular FormulaC13H17Cl2N3O4S2
Molecular Weight414.34 g/mol
Exact Mass413.00
IUPAC Name[4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C13H17Cl2N3O4S2/c14-11-9-10(12(15)23-11)24(20,21)18-3-1-16(2-4-18)13(19)17-5-7-22-8-6-17/h9H,1-8H2
InChIKeyQWVOYJYEHWAUIH-UHFFFAOYSA-N
XLogP1.81
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 55558853
1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine
CID 2805365
[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 24603010
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol
CID 43502793
morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 24603019
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine
CID 43344137
[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 55476348
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine;hydrochloride
CID 46743477
[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 17482039
methyl (4Z)-N-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-4-carboximidothioate
CID 134095325
2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
CID 34665578
4-(bromomethyl)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidine
CID 80670130

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone (CID 55508764) is [4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1.
What is the InChIKey of [4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is QWVOYJYEHWAUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O4S2/c14-11-9-10(12(15)23-11)24(20,21)18-3-1-16(2-4-18)13(19)17-5-7-22-8-6-17/h9H,1-8H2.
What are the key properties of [4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
[4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 414.34 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 55508764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).