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

C23H27F2N5O3S — CID 126508825

IUPACN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-4-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)N1CCN(S(=O)(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cc2)c2ccccc2)CC1
InChIInChI=1S/C23H27F2N5O3S/c1-17(2)28-12-14-29(15-13-28)34(31,32)30(20-6-4-3-5-7-20)16-18-8-10-19(11-9-18)22-26-27-23(33-22)21(24)25/h3-11,17,21H,12-16H2,1-2H3
InChIKeyUDHJWHNBAFNBAR-UHFFFAOYSA-N
MW491.56 g/mol
LogP3.95
Rot. Bonds8

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

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-4-propan-2-ylpiperazine-1-sulfonamide (PubChem CID 126508825) has the molecular formula C23H27F2N5O3S and a molecular weight of 491.56 g/mol. Its IUPAC name is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-4-propan-2-ylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-4-propan-2-ylpiperazine-1-sulfonamide
PubChem CID126508825
Molecular FormulaC23H27F2N5O3S
Molecular Weight491.56 g/mol
Exact Mass491.18
IUPAC NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-4-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)N1CCN(S(=O)(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cc2)c2ccccc2)CC1
InChIInChI=1S/C23H27F2N5O3S/c1-17(2)28-12-14-29(15-13-28)34(31,32)30(20-6-4-3-5-7-20)16-18-8-10-19(11-9-18)22-26-27-23(33-22)21(24)25/h3-11,17,21H,12-16H2,1-2H3
InChIKeyUDHJWHNBAFNBAR-UHFFFAOYSA-N
XLogP3.95
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.56
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-4-propan-2-ylpiperazine-1-sulfonamide?
The IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-4-propan-2-ylpiperazine-1-sulfonamide (CID 126508825) is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-4-propan-2-ylpiperazine-1-sulfonamide.
What is the SMILES notation for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-4-propan-2-ylpiperazine-1-sulfonamide?
The canonical SMILES for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-4-propan-2-ylpiperazine-1-sulfonamide is CC(C)N1CCN(S(=O)(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cc2)c2ccccc2)CC1.
What is the InChIKey of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-4-propan-2-ylpiperazine-1-sulfonamide?
The InChIKey is UDHJWHNBAFNBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N5O3S/c1-17(2)28-12-14-29(15-13-28)34(31,32)30(20-6-4-3-5-7-20)16-18-8-10-19(11-9-18)22-26-27-23(33-22)21(24)25/h3-11,17,21H,12-16H2,1-2H3.
What are the key properties of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-4-propan-2-ylpiperazine-1-sulfonamide?
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-4-propan-2-ylpiperazine-1-sulfonamide has a molecular weight of 491.56 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenyl-4-propan-2-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 126508825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).