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

C22H24ClF3N6O3S — CID 126506958

IUPACN-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)N1CCN(S(=O)(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C22H24ClF3N6O3S/c1-14(2)30-7-9-31(10-8-30)36(33,34)32(17-5-6-19(24)18(23)11-17)13-16-4-3-15(12-27-16)21-28-29-22(35-21)20(25)26/h3-6,11-12,14,20H,7-10,13H2,1-2H3
InChIKeyPDWGHKTZSKXPIH-UHFFFAOYSA-N
MW544.99 g/mol
LogP4.14
Rot. Bonds8

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

N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-propan-2-ylpiperazine-1-sulfonamide (PubChem CID 126506958) has the molecular formula C22H24ClF3N6O3S and a molecular weight of 544.99 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-propan-2-ylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-propan-2-ylpiperazine-1-sulfonamide
PubChem CID126506958
Molecular FormulaC22H24ClF3N6O3S
Molecular Weight544.99 g/mol
Exact Mass544.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)N1CCN(S(=O)(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C22H24ClF3N6O3S/c1-14(2)30-7-9-31(10-8-30)36(33,34)32(17-5-6-19(24)18(23)11-17)13-16-4-3-15(12-27-16)21-28-29-22(35-21)20(25)26/h3-6,11-12,14,20H,7-10,13H2,1-2H3
InChIKeyPDWGHKTZSKXPIH-UHFFFAOYSA-N
XLogP4.14
TPSA95.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.99
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-propan-2-ylpiperazine-1-sulfonamide with MolForge

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-(oxetan-3-yl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-sulfonamide
CID 168293360
4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-2-yl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71042916
US10464911, Example 71
CID 126507175
US10464911, Example 35
CID 126507200
US10464911, Example 38
CID 126507754
US10464911, Example 55
CID 126507833
US10464911, Example 69
CID 126507871
US10464911, Example 33
CID 126507917
US10464911, Example 68
CID 126508344
US10464911, Example 76
CID 126508375
US10464911, Example 66
CID 126508476
US10464911, Example 36
CID 126508501

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-propan-2-ylpiperazine-1-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-propan-2-ylpiperazine-1-sulfonamide (CID 126506958) is N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-propan-2-ylpiperazine-1-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-propan-2-ylpiperazine-1-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-propan-2-ylpiperazine-1-sulfonamide is CC(C)N1CCN(S(=O)(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-propan-2-ylpiperazine-1-sulfonamide?
The InChIKey is PDWGHKTZSKXPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF3N6O3S/c1-14(2)30-7-9-31(10-8-30)36(33,34)32(17-5-6-19(24)18(23)11-17)13-16-4-3-15(12-27-16)21-28-29-22(35-21)20(25)26/h3-6,11-12,14,20H,7-10,13H2,1-2H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-propan-2-ylpiperazine-1-sulfonamide?
N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-propan-2-ylpiperazine-1-sulfonamide has a molecular weight of 544.99 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-propan-2-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 126506958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).