N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]oxolane-3-sulfonamide

C25H29N3O6S — CID 118633907

IUPACN-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]oxolane-3-sulfonamide
SMILESO=C(c1ccc(-c2cccc(NS(=O)(=O)C3CCOC3)c2)cc1)N1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C25H29N3O6S/c29-23(27-11-13-28(14-12-27)24(30)25(31)9-10-25)19-6-4-18(5-7-19)20-2-1-3-21(16-20)26-35(32,33)22-8-15-34-17-22/h1-7,16,22,26,31H,8-15,17H2
InChIKeyRQSZPMBZBNZWMQ-UHFFFAOYSA-N
MW499.59 g/mol
LogP1.69
Rot. Bonds6

About N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]oxolane-3-sulfonamide

N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]oxolane-3-sulfonamide (PubChem CID 118633907) has the molecular formula C25H29N3O6S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]oxolane-3-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]oxolane-3-sulfonamide
PubChem CID118633907
Molecular FormulaC25H29N3O6S
Molecular Weight499.59 g/mol
Exact Mass499.18
IUPAC NameN-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]oxolane-3-sulfonamide
SMILESO=C(c1ccc(-c2cccc(NS(=O)(=O)C3CCOC3)c2)cc1)N1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C25H29N3O6S/c29-23(27-11-13-28(14-12-27)24(30)25(31)9-10-25)19-6-4-18(5-7-19)20-2-1-3-21(16-20)26-35(32,33)22-8-15-34-17-22/h1-7,16,22,26,31H,8-15,17H2
InChIKeyRQSZPMBZBNZWMQ-UHFFFAOYSA-N
XLogP1.69
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[3-(oxolan-3-ylsulfonylmethyl)phenyl]phenyl]methanone
CID 162184215
N-[3-[4-[4-(3-aminooxetane-3-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanesulfonamide
CID 118633893
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclobutanecarboxamide
CID 118633865
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclohexanecarboxamide
CID 118633902
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-1-methoxyethanesulfonamide
CID 152505868
N-[3-[2-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopentanesulfonamide
CID 153313185
[4-[3-(cyclobutylsulfonylmethyl)phenyl]phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 160911410
N-[4-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
CID 118633911
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791
N-hydroxy-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
CID 139377421
[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275794
N-[3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
CID 118633871

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]oxolane-3-sulfonamide?
The IUPAC name of N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]oxolane-3-sulfonamide (CID 118633907) is N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]oxolane-3-sulfonamide.
What is the SMILES notation for N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]oxolane-3-sulfonamide?
The canonical SMILES for N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]oxolane-3-sulfonamide is O=C(c1ccc(-c2cccc(NS(=O)(=O)C3CCOC3)c2)cc1)N1CCN(C(=O)C2(O)CC2)CC1.
What is the InChIKey of N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]oxolane-3-sulfonamide?
The InChIKey is RQSZPMBZBNZWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O6S/c29-23(27-11-13-28(14-12-27)24(30)25(31)9-10-25)19-6-4-18(5-7-19)20-2-1-3-21(16-20)26-35(32,33)22-8-15-34-17-22/h1-7,16,22,26,31H,8-15,17H2.
What are the key properties of N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]oxolane-3-sulfonamide?
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]oxolane-3-sulfonamide has a molecular weight of 499.59 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]oxolane-3-sulfonamide is sourced from PubChem (CID 118633907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).