N-[4-[3-amino-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide

C19H21F2N3O3S — CID 70844173

IUPACN-[4-[3-amino-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C19H21F2N3O3S/c1-3-24-16-11-14(27-19(20)21)9-10-15(16)17(22)18(24)12-5-7-13(8-6-12)23-28(25,26)4-2/h5-11,19,23H,3-4,22H2,1-2H3
InChIKeyJXNVCRVSVAYRHR-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.27
Rot. Bonds7

About N-[4-[3-amino-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide

N-[4-[3-amino-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide (PubChem CID 70844173) has the molecular formula C19H21F2N3O3S and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[4-[3-amino-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-amino-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide
PubChem CID70844173
Molecular FormulaC19H21F2N3O3S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC NameN-[4-[3-amino-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide
SMILESCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C19H21F2N3O3S/c1-3-24-16-11-14(27-19(20)21)9-10-15(16)17(22)18(24)12-5-7-13(8-6-12)23-28(25,26)4-2/h5-11,19,23H,3-4,22H2,1-2H3
InChIKeyJXNVCRVSVAYRHR-UHFFFAOYSA-N
XLogP4.27
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-amino-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[3-amino-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide (CID 70844173) is N-[4-[3-amino-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[3-amino-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[3-amino-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide is CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(N)c2ccc(OC(F)F)cc21.
What is the InChIKey of N-[4-[3-amino-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide?
The InChIKey is JXNVCRVSVAYRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3S/c1-3-24-16-11-14(27-19(20)21)9-10-15(16)17(22)18(24)12-5-7-13(8-6-12)23-28(25,26)4-2/h5-11,19,23H,3-4,22H2,1-2H3.
What are the key properties of N-[4-[3-amino-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide?
N-[4-[3-amino-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide has a molecular weight of 409.46 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-amino-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 70844173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).