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

C21H21ClF2N4O3S — CID 158190301

IUPACN-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]cyclohexanesulfonamide
SMILESO=S(=O)(C1CCCCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1cccc(Cl)c1
InChIInChI=1S/C21H21ClF2N4O3S/c22-15-5-4-6-17(11-15)28(32(29,30)18-7-2-1-3-8-18)13-16-10-9-14(12-25-16)20-26-27-21(31-20)19(23)24/h4-6,9-12,18-19H,1-3,7-8,13H2
InChIKeyYZCAGOLITABCOR-UHFFFAOYSA-N
MW482.94 g/mol
LogP5.39
Rot. Bonds7

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

N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]cyclohexanesulfonamide (PubChem CID 158190301) has the molecular formula C21H21ClF2N4O3S and a molecular weight of 482.94 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]cyclohexanesulfonamide
PubChem CID158190301
Molecular FormulaC21H21ClF2N4O3S
Molecular Weight482.94 g/mol
Exact Mass482.10
IUPAC NameN-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]cyclohexanesulfonamide
SMILESO=S(=O)(C1CCCCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1cccc(Cl)c1
InChIInChI=1S/C21H21ClF2N4O3S/c22-15-5-4-6-17(11-15)28(32(29,30)18-7-2-1-3-8-18)13-16-10-9-14(12-25-16)20-26-27-21(31-20)19(23)24/h4-6,9-12,18-19H,1-3,7-8,13H2
InChIKeyYZCAGOLITABCOR-UHFFFAOYSA-N
XLogP5.39
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.94
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azetidin-3-yl)-N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-4-sulfonamide;N-(3-chlorophenyl)-1-cyclobutyl-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-4-sulfonamide
CID 159949671
N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-4-sulfonamide
CID 175811436
N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylcyclohexanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenylcyclohexanesulfonamide
CID 161462313
N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(3-chlorophenyl)-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide;N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorocyclobutyl)piperidine-4-sulfonamide
CID 158398320
N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethylpiperazine-1-sulfonamide
CID 126508346
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenylpiperidine-4-sulfonamide;dihydrochloride
CID 126507113
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(3-methylphenyl)-1-(oxan-4-yl)piperidine-4-sulfonamide
CID 126506439
N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1-(3-hydroxycyclobutyl)piperidine-4-sulfonamide;N-(3-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-4-sulfonamide;hydrochloride
CID 157369557
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide
CID 126507616
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylpiperidin-4-yl)sulfanylaniline
CID 145239175
1-cyclobutyl-N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)piperidine-4-sulfonamide
CID 156840490
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyloxolane-3-sulfinamide
CID 145238623

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]cyclohexanesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]cyclohexanesulfonamide (CID 158190301) is N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]cyclohexanesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]cyclohexanesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]cyclohexanesulfonamide is O=S(=O)(C1CCCCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]cyclohexanesulfonamide?
The InChIKey is YZCAGOLITABCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N4O3S/c22-15-5-4-6-17(11-15)28(32(29,30)18-7-2-1-3-8-18)13-16-10-9-14(12-25-16)20-26-27-21(31-20)19(23)24/h4-6,9-12,18-19H,1-3,7-8,13H2.
What are the key properties of N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]cyclohexanesulfonamide?
N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]cyclohexanesulfonamide has a molecular weight of 482.94 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]cyclohexanesulfonamide is sourced from PubChem (CID 158190301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).