4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpiperazine-1-sulfonamide

C24H27F2N5O3S — CID 126508820

IUPAC4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpiperazine-1-sulfonamide
SMILESO=S(=O)(N1CCN(C2CCC2)CC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1)c1ccccc1
InChIInChI=1S/C24H27F2N5O3S/c25-22(26)24-28-27-23(34-24)19-11-9-18(10-12-19)17-31(21-5-2-1-3-6-21)35(32,33)30-15-13-29(14-16-30)20-7-4-8-20/h1-3,5-6,9-12,20,22H,4,7-8,13-17H2
InChIKeyUQPZQERGYWSGSR-UHFFFAOYSA-N
MW503.58 g/mol
LogP4.10
Rot. Bonds8

About 4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpiperazine-1-sulfonamide

4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpiperazine-1-sulfonamide (PubChem CID 126508820) has the molecular formula C24H27F2N5O3S and a molecular weight of 503.58 g/mol. Its IUPAC name is 4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpiperazine-1-sulfonamide
PubChem CID126508820
Molecular FormulaC24H27F2N5O3S
Molecular Weight503.58 g/mol
Exact Mass503.18
IUPAC Name4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpiperazine-1-sulfonamide
SMILESO=S(=O)(N1CCN(C2CCC2)CC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1)c1ccccc1
InChIInChI=1S/C24H27F2N5O3S/c25-22(26)24-28-27-23(34-24)19-11-9-18(10-12-19)17-31(21-5-2-1-3-6-21)35(32,33)30-15-13-29(14-16-30)20-7-4-8-20/h1-3,5-6,9-12,20,22H,4,7-8,13-17H2
InChIKeyUQPZQERGYWSGSR-UHFFFAOYSA-N
XLogP4.10
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpiperazine-1-sulfonamide?
The IUPAC name of 4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpiperazine-1-sulfonamide (CID 126508820) is 4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpiperazine-1-sulfonamide?
The canonical SMILES for 4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpiperazine-1-sulfonamide is O=S(=O)(N1CCN(C2CCC2)CC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1)c1ccccc1.
What is the InChIKey of 4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpiperazine-1-sulfonamide?
The InChIKey is UQPZQERGYWSGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O3S/c25-22(26)24-28-27-23(34-24)19-11-9-18(10-12-19)17-31(21-5-2-1-3-6-21)35(32,33)30-15-13-29(14-16-30)20-7-4-8-20/h1-3,5-6,9-12,20,22H,4,7-8,13-17H2.
What are the key properties of 4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpiperazine-1-sulfonamide?
4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpiperazine-1-sulfonamide has a molecular weight of 503.58 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpiperazine-1-sulfonamide is sourced from PubChem (CID 126508820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).