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

C24H25ClF3N5O3S — CID 126507884

IUPACN-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-sulfonamide
SMILESO=S(=O)(N1CCN(C2CCC2)CC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C24H25ClF3N5O3S/c25-20-14-19(8-9-21(20)26)33(37(34,35)32-12-10-31(11-13-32)18-2-1-3-18)15-16-4-6-17(7-5-16)23-29-30-24(36-23)22(27)28/h4-9,14,18,22H,1-3,10-13,15H2
InChIKeyKNGIKFWWTXTODA-UHFFFAOYSA-N
MW556.01 g/mol
LogP4.89
Rot. Bonds8

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

N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-sulfonamide (PubChem CID 126507884) has the molecular formula C24H25ClF3N5O3S and a molecular weight of 556.01 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-sulfonamide
PubChem CID126507884
Molecular FormulaC24H25ClF3N5O3S
Molecular Weight556.01 g/mol
Exact Mass555.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-sulfonamide
SMILESO=S(=O)(N1CCN(C2CCC2)CC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C24H25ClF3N5O3S/c25-20-14-19(8-9-21(20)26)33(37(34,35)32-12-10-31(11-13-32)18-2-1-3-18)15-16-4-6-17(7-5-16)23-29-30-24(36-23)22(27)28/h4-9,14,18,22H,1-3,10-13,15H2
InChIKeyKNGIKFWWTXTODA-UHFFFAOYSA-N
XLogP4.89
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.01
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-sulfonamide with MolForge

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Related Compounds

1-(3-Chlorophenyl)-4-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 16026363
1-(3-Chlorophenyl)-3-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 45268346
US10464911, Example 22
CID 126506972
US10464911, Example 45
CID 126507020
US10464911, Example 16
CID 126507523
US10464911, Example 34
CID 126507527
US10464911, Example 44
CID 126507648
US10464911, Example 40
CID 126507670
US10464911, Example 8
CID 126507720
US10464911, Example 20
CID 126507811
US10464911, Example 7
CID 126507835
US10464911, Example 9
CID 126507953

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-sulfonamide (CID 126507884) is N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-sulfonamide is O=S(=O)(N1CCN(C2CCC2)CC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-sulfonamide?
The InChIKey is KNGIKFWWTXTODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3N5O3S/c25-20-14-19(8-9-21(20)26)33(37(34,35)32-12-10-31(11-13-32)18-2-1-3-18)15-16-4-6-17(7-5-16)23-29-30-24(36-23)22(27)28/h4-9,14,18,22H,1-3,10-13,15H2.
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-sulfonamide?
N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-sulfonamide has a molecular weight of 556.01 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-cyclobutyl-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 126507884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).