5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methylfuran-3-sulfonamide

C17H21N3O7S2 — CID 71856391

IUPAC5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methylfuran-3-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(N)(=O)=O)c(C)o3)CC2)cc1
InChIInChI=1S/C17H21N3O7S2/c1-12-16(28(18,22)23)11-15(27-12)17(21)19-7-9-20(10-8-19)29(24,25)14-5-3-13(26-2)4-6-14/h3-6,11H,7-10H2,1-2H3,(H2,18,22,23)
InChIKeyHBFWUMQINGDQEI-UHFFFAOYSA-N
MW443.50 g/mol
LogP0.39
Rot. Bonds5

About 5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methylfuran-3-sulfonamide

5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methylfuran-3-sulfonamide (PubChem CID 71856391) has the molecular formula C17H21N3O7S2 and a molecular weight of 443.50 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methylfuran-3-sulfonamide.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methylfuran-3-sulfonamide
PubChem CID71856391
Molecular FormulaC17H21N3O7S2
Molecular Weight443.50 g/mol
Exact Mass443.08
IUPAC Name5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methylfuran-3-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(N)(=O)=O)c(C)o3)CC2)cc1
InChIInChI=1S/C17H21N3O7S2/c1-12-16(28(18,22)23)11-15(27-12)17(21)19-7-9-20(10-8-19)29(24,25)14-5-3-13(26-2)4-6-14/h3-6,11H,7-10H2,1-2H3,(H2,18,22,23)
InChIKeyHBFWUMQINGDQEI-UHFFFAOYSA-N
XLogP0.39
TPSA140.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 26765978
(5-bromo-1-benzofuran-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 46437678
(2-hydroxy-4-methylphenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 34231889
5-[4-(methoxymethyl)piperidine-1-carbonyl]-2-methylfuran-3-sulfonamide
CID 65387146
(2,5-dimethylphenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 7809128
1,3-benzodioxol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 7601287
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17191308
[4-(aminomethyl)phenyl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119265565
1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 50876377
(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119265572
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 9496499
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methylfuran-3-sulfonamide?
The IUPAC name of 5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methylfuran-3-sulfonamide (CID 71856391) is 5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methylfuran-3-sulfonamide.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methylfuran-3-sulfonamide?
The canonical SMILES for 5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methylfuran-3-sulfonamide is COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(N)(=O)=O)c(C)o3)CC2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methylfuran-3-sulfonamide?
The InChIKey is HBFWUMQINGDQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O7S2/c1-12-16(28(18,22)23)11-15(27-12)17(21)19-7-9-20(10-8-19)29(24,25)14-5-3-13(26-2)4-6-14/h3-6,11H,7-10H2,1-2H3,(H2,18,22,23).
What are the key properties of 5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methylfuran-3-sulfonamide?
5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methylfuran-3-sulfonamide has a molecular weight of 443.50 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methylfuran-3-sulfonamide is sourced from PubChem (CID 71856391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).