N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(1-ethylindazol-6-yl)methanesulfonamide

C20H19F2N5O3S — CID 126507671

IUPACN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(1-ethylindazol-6-yl)methanesulfonamide
SMILESCCn1ncc2ccc(N(Cc3ccc(-c4nnc(C(F)F)o4)cc3)S(C)(=O)=O)cc21
InChIInChI=1S/C20H19F2N5O3S/c1-3-26-17-10-16(9-8-15(17)11-23-26)27(31(2,28)29)12-13-4-6-14(7-5-13)19-24-25-20(30-19)18(21)22/h4-11,18H,3,12H2,1-2H3
InChIKeyIKYXZBXVLKDIKF-UHFFFAOYSA-N
MW447.47 g/mol
LogP4.01
Rot. Bonds7

About N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(1-ethylindazol-6-yl)methanesulfonamide

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(1-ethylindazol-6-yl)methanesulfonamide (PubChem CID 126507671) has the molecular formula C20H19F2N5O3S and a molecular weight of 447.47 g/mol. Its IUPAC name is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(1-ethylindazol-6-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(1-ethylindazol-6-yl)methanesulfonamide
PubChem CID126507671
Molecular FormulaC20H19F2N5O3S
Molecular Weight447.47 g/mol
Exact Mass447.12
IUPAC NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(1-ethylindazol-6-yl)methanesulfonamide
SMILESCCn1ncc2ccc(N(Cc3ccc(-c4nnc(C(F)F)o4)cc3)S(C)(=O)=O)cc21
InChIInChI=1S/C20H19F2N5O3S/c1-3-26-17-10-16(9-8-15(17)11-23-26)27(31(2,28)29)12-13-4-6-14(7-5-13)19-24-25-20(30-19)18(21)22/h4-11,18H,3,12H2,1-2H3
InChIKeyIKYXZBXVLKDIKF-UHFFFAOYSA-N
XLogP4.01
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(1-ethylindazol-6-yl)methanesulfonamide?
The IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(1-ethylindazol-6-yl)methanesulfonamide (CID 126507671) is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(1-ethylindazol-6-yl)methanesulfonamide.
What is the SMILES notation for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(1-ethylindazol-6-yl)methanesulfonamide?
The canonical SMILES for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(1-ethylindazol-6-yl)methanesulfonamide is CCn1ncc2ccc(N(Cc3ccc(-c4nnc(C(F)F)o4)cc3)S(C)(=O)=O)cc21.
What is the InChIKey of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(1-ethylindazol-6-yl)methanesulfonamide?
The InChIKey is IKYXZBXVLKDIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O3S/c1-3-26-17-10-16(9-8-15(17)11-23-26)27(31(2,28)29)12-13-4-6-14(7-5-13)19-24-25-20(30-19)18(21)22/h4-11,18H,3,12H2,1-2H3.
What are the key properties of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(1-ethylindazol-6-yl)methanesulfonamide?
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(1-ethylindazol-6-yl)methanesulfonamide has a molecular weight of 447.47 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(1-ethylindazol-6-yl)methanesulfonamide is sourced from PubChem (CID 126507671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).