8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline

C17H16ClN3O4S3 — CID 19684943

IUPAC8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C17H16ClN3O4S3/c18-15-6-7-16(26-15)28(24,25)21-11-9-20(10-12-21)27(22,23)14-5-1-3-13-4-2-8-19-17(13)14/h1-8H,9-12H2
InChIKeyYCDXKVLUNHXIAX-UHFFFAOYSA-N
MW457.99 g/mol
LogP2.64
Rot. Bonds4

About 8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline

8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline (PubChem CID 19684943) has the molecular formula C17H16ClN3O4S3 and a molecular weight of 457.99 g/mol. Its IUPAC name is 8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline
PubChem CID19684943
Molecular FormulaC17H16ClN3O4S3
Molecular Weight457.99 g/mol
Exact Mass457.00
IUPAC Name8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C17H16ClN3O4S3/c18-15-6-7-16(26-15)28(24,25)21-11-9-20(10-12-21)27(22,23)14-5-1-3-13-4-2-8-19-17(13)14/h1-8H,9-12H2
InChIKeyYCDXKVLUNHXIAX-UHFFFAOYSA-N
XLogP2.64
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.99
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
(E)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-3-quinolin-8-ylprop-2-en-1-one
CID 55510722
8-piperidin-1-ylsulfonylquinoline
CID 768759
1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
CID 113074876
8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline
CID 18338372
8-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylquinoline
CID 23933018
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
1-(5-chlorothiophen-2-yl)sulfonyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 60563458
8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 22772866
8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline
CID 131703897
1-pyridin-2-yl-4-quinolin-8-ylsulfonylpiperazin-2-one
CID 134161610
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842

Frequently Asked Questions

What is the IUPAC name of 8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline?
The IUPAC name of 8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline (CID 19684943) is 8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline?
The canonical SMILES for 8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline is O=S(=O)(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of 8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline?
The InChIKey is YCDXKVLUNHXIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S3/c18-15-6-7-16(26-15)28(24,25)21-11-9-20(10-12-21)27(22,23)14-5-1-3-13-4-2-8-19-17(13)14/h1-8H,9-12H2.
What are the key properties of 8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline?
8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline has a molecular weight of 457.99 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline is sourced from PubChem (CID 19684943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).