(5-bromothiophen-2-yl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone

C19H18BrN3O3S2 — CID 39276916

IUPAC(5-bromothiophen-2-yl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4ccc(Br)s4)CC3)cccc2c1
InChIInChI=1S/C19H18BrN3O3S2/c1-13-11-14-3-2-4-16(18(14)21-12-13)28(25,26)23-9-7-22(8-10-23)19(24)15-5-6-17(20)27-15/h2-6,11-12H,7-10H2,1H3
InChIKeyMGLAVTFVERDKFF-UHFFFAOYSA-N
MW480.41 g/mol
LogP3.51
Rot. Bonds3

About (5-bromothiophen-2-yl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone

(5-bromothiophen-2-yl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 39276916) has the molecular formula C19H18BrN3O3S2 and a molecular weight of 480.41 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID39276916
Molecular FormulaC19H18BrN3O3S2
Molecular Weight480.41 g/mol
Exact Mass479.00
IUPAC Name(5-bromothiophen-2-yl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4ccc(Br)s4)CC3)cccc2c1
InChIInChI=1S/C19H18BrN3O3S2/c1-13-11-14-3-2-4-16(18(14)21-12-13)28(25,26)23-9-7-22(8-10-23)19(24)15-5-6-17(20)27-15/h2-6,11-12H,7-10H2,1H3
InChIKeyMGLAVTFVERDKFF-UHFFFAOYSA-N
XLogP3.51
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-bromothiophen-2-yl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone with MolForge

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Related Compounds

(2,3-dichlorophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone
CID 39276994
4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride
CID 119293056
5-methyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 133351886
4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one
CID 120560546
3-methyl-8-(4-prop-2-ynylpiperazin-1-yl)sulfonylquinoline
CID 86989080
2-ethyl-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]hexan-1-one
CID 55615001
N,N-dimethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-2-phenylacetamide
CID 43074722
3-[3-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 55614987
2-(4-chlorophenoxy)-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethanone
CID 55615112
1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 55886043
3-methyl-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylquinoline
CID 30598898
2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 51119868

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (5-bromothiophen-2-yl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone (CID 39276916) is (5-bromothiophen-2-yl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone is Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4ccc(Br)s4)CC3)cccc2c1.
What is the InChIKey of (5-bromothiophen-2-yl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is MGLAVTFVERDKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3S2/c1-13-11-14-3-2-4-16(18(14)21-12-13)28(25,26)23-9-7-22(8-10-23)19(24)15-5-6-17(20)27-15/h2-6,11-12H,7-10H2,1H3.
What are the key properties of (5-bromothiophen-2-yl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone?
(5-bromothiophen-2-yl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 480.41 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 39276916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).