N-(3-chlorophenyl)-N-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]amino]ethyl]ethanesulfonamide

C16H16ClF2N5O3S2 — CID 156526252

IUPACN-(3-chlorophenyl)-N-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]amino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(CCNc1nc(-c2nnc(C(F)F)o2)cs1)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClF2N5O3S2/c1-2-29(25,26)24(11-5-3-4-10(17)8-11)7-6-20-16-21-12(9-28-16)14-22-23-15(27-14)13(18)19/h3-5,8-9,13H,2,6-7H2,1H3,(H,20,21)
InChIKeyCLTJFNFMSBITEX-UHFFFAOYSA-N
MW463.92 g/mol
LogP4.05
Rot. Bonds9

About N-(3-chlorophenyl)-N-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]amino]ethyl]ethanesulfonamide

N-(3-chlorophenyl)-N-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]amino]ethyl]ethanesulfonamide (PubChem CID 156526252) has the molecular formula C16H16ClF2N5O3S2 and a molecular weight of 463.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]amino]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]amino]ethyl]ethanesulfonamide
PubChem CID156526252
Molecular FormulaC16H16ClF2N5O3S2
Molecular Weight463.92 g/mol
Exact Mass463.04
IUPAC NameN-(3-chlorophenyl)-N-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]amino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(CCNc1nc(-c2nnc(C(F)F)o2)cs1)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClF2N5O3S2/c1-2-29(25,26)24(11-5-3-4-10(17)8-11)7-6-20-16-21-12(9-28-16)14-22-23-15(27-14)13(18)19/h3-5,8-9,13H,2,6-7H2,1H3,(H,20,21)
InChIKeyCLTJFNFMSBITEX-UHFFFAOYSA-N
XLogP4.05
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.92
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]amino]ethyl]ethanesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-N-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]amino]ethyl]ethanesulfonamide (CID 156526252) is N-(3-chlorophenyl)-N-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]amino]ethyl]ethanesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]amino]ethyl]ethanesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]amino]ethyl]ethanesulfonamide is CCS(=O)(=O)N(CCNc1nc(-c2nnc(C(F)F)o2)cs1)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]amino]ethyl]ethanesulfonamide?
The InChIKey is CLTJFNFMSBITEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N5O3S2/c1-2-29(25,26)24(11-5-3-4-10(17)8-11)7-6-20-16-21-12(9-28-16)14-22-23-15(27-14)13(18)19/h3-5,8-9,13H,2,6-7H2,1H3,(H,20,21).
What are the key properties of N-(3-chlorophenyl)-N-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]amino]ethyl]ethanesulfonamide?
N-(3-chlorophenyl)-N-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]amino]ethyl]ethanesulfonamide has a molecular weight of 463.92 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]amino]ethyl]ethanesulfonamide is sourced from PubChem (CID 156526252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).