N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylimidazol-2-yl]methyl]ethanesulfonamide

C16H16ClF2N5O3S — CID 156525829

IUPACN-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylimidazol-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1nc(-c2nnc(C(F)F)o2)cn1C)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClF2N5O3S/c1-3-28(25,26)24(11-6-4-5-10(17)7-11)9-13-20-12(8-23(13)2)15-21-22-16(27-15)14(18)19/h4-8,14H,3,9H2,1-2H3
InChIKeyCLYKVASVNUZPQB-UHFFFAOYSA-N
MW431.85 g/mol
LogP3.42
Rot. Bonds7

About N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylimidazol-2-yl]methyl]ethanesulfonamide

N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylimidazol-2-yl]methyl]ethanesulfonamide (PubChem CID 156525829) has the molecular formula C16H16ClF2N5O3S and a molecular weight of 431.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylimidazol-2-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylimidazol-2-yl]methyl]ethanesulfonamide
PubChem CID156525829
Molecular FormulaC16H16ClF2N5O3S
Molecular Weight431.85 g/mol
Exact Mass431.06
IUPAC NameN-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylimidazol-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1nc(-c2nnc(C(F)F)o2)cn1C)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClF2N5O3S/c1-3-28(25,26)24(11-6-4-5-10(17)7-11)9-13-20-12(8-23(13)2)15-21-22-16(27-15)14(18)19/h4-8,14H,3,9H2,1-2H3
InChIKeyCLYKVASVNUZPQB-UHFFFAOYSA-N
XLogP3.42
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.85
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chlorophenyl)-N-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]amino]ethyl]ethanesulfonamide
CID 156526252
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]triazol-2-yl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide
CID 175834485
N-(3-ethylphenyl)-N-[[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazol-5-yl]methyl]ethanesulfonamide
CID 156799462
N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethylpiperazine-1-sulfonamide
CID 126508346
N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]cyclohexanesulfonamide
CID 158190301
N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-oxazol-2-yl]amino]ethyl]-N-(3-methylphenyl)ethanesulfonamide
CID 166091676
N-[2-[4-[(3-chloro-N-methylsulfonylanilino)methyl]-3-fluorophenyl]-2-oxoethyl]-2,2-difluoroacetamide;N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]methanesulfonamide
CID 159773578
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]ethanesulfonamide
CID 156525580
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridazin-4-ylethanesulfonamide
CID 156525586
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)methanesulfonamide
CID 126507804
N-[6-(difluoromethoxy)-3-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide
CID 156525565
N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-pyrrolidin-1-ylethanesulfonamide
CID 126505943

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylimidazol-2-yl]methyl]ethanesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylimidazol-2-yl]methyl]ethanesulfonamide (CID 156525829) is N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylimidazol-2-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylimidazol-2-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylimidazol-2-yl]methyl]ethanesulfonamide is CCS(=O)(=O)N(Cc1nc(-c2nnc(C(F)F)o2)cn1C)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylimidazol-2-yl]methyl]ethanesulfonamide?
The InChIKey is CLYKVASVNUZPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N5O3S/c1-3-28(25,26)24(11-6-4-5-10(17)7-11)9-13-20-12(8-23(13)2)15-21-22-16(27-15)14(18)19/h4-8,14H,3,9H2,1-2H3.
What are the key properties of N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylimidazol-2-yl]methyl]ethanesulfonamide?
N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylimidazol-2-yl]methyl]ethanesulfonamide has a molecular weight of 431.85 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylimidazol-2-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 156525829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).