(3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethylpiperazine-1-sulfonamide

C21H23ClF2N6O3S — CID 126508344

IUPAC(3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethylpiperazine-1-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cccc(Cl)c2)CCN1C
InChIInChI=1S/C21H23ClF2N6O3S/c1-14-12-29(9-8-28(14)2)34(31,32)30(18-5-3-4-16(22)10-18)13-17-7-6-15(11-25-17)20-26-27-21(33-20)19(23)24/h3-7,10-11,14,19H,8-9,12-13H2,1-2H3/t14-/m1/s1
InChIKeyJZHCKADNAOZCKV-CQSZACIVSA-N
MW512.97 g/mol
LogP3.61
Rot. Bonds7

About (3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethylpiperazine-1-sulfonamide

(3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethylpiperazine-1-sulfonamide (PubChem CID 126508344) has the molecular formula C21H23ClF2N6O3S and a molecular weight of 512.97 g/mol. Its IUPAC name is (3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethylpiperazine-1-sulfonamide
PubChem CID126508344
Molecular FormulaC21H23ClF2N6O3S
Molecular Weight512.97 g/mol
Exact Mass512.12
IUPAC Name(3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethylpiperazine-1-sulfonamide
SMILESC[C@@H]1CN(S(=O)(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cccc(Cl)c2)CCN1C
InChIInChI=1S/C21H23ClF2N6O3S/c1-14-12-29(9-8-28(14)2)34(31,32)30(18-5-3-4-16(22)10-18)13-17-7-6-15(11-25-17)20-26-27-21(33-20)19(23)24/h3-7,10-11,14,19H,8-9,12-13H2,1-2H3/t14-/m1/s1
InChIKeyJZHCKADNAOZCKV-CQSZACIVSA-N
XLogP3.61
TPSA95.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.97
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethylpiperazine-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 54
CID 126506958
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 76
CID 126508375
US10464911, Example 66
CID 126508476
US10464911, Example 36
CID 126508501

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethylpiperazine-1-sulfonamide?
The IUPAC name of (3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethylpiperazine-1-sulfonamide (CID 126508344) is (3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for (3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for (3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethylpiperazine-1-sulfonamide is C[C@@H]1CN(S(=O)(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)c2cccc(Cl)c2)CCN1C.
What is the InChIKey of (3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethylpiperazine-1-sulfonamide?
The InChIKey is JZHCKADNAOZCKV-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23ClF2N6O3S/c1-14-12-29(9-8-28(14)2)34(31,32)30(18-5-3-4-16(22)10-18)13-17-7-6-15(11-25-17)20-26-27-21(33-20)19(23)24/h3-7,10-11,14,19H,8-9,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethylpiperazine-1-sulfonamide?
(3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethylpiperazine-1-sulfonamide has a molecular weight of 512.97 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 126508344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).