N-[3-(difluoromethoxy)phenyl]-2-methylpropane-2-sulfinamide

C11H15F2NO2S — CID 139414623

IUPACN-[3-(difluoromethoxy)phenyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C11H15F2NO2S/c1-11(2,3)17(15)14-8-5-4-6-9(7-8)16-10(12)13/h4-7,10,14H,1-3H3
InChIKeyBSTGSVLPYFUYMB-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.16
Rot. Bonds4

About N-[3-(difluoromethoxy)phenyl]-2-methylpropane-2-sulfinamide

N-[3-(difluoromethoxy)phenyl]-2-methylpropane-2-sulfinamide (PubChem CID 139414623) has the molecular formula C11H15F2NO2S and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-2-methylpropane-2-sulfinamide
PubChem CID139414623
Molecular FormulaC11H15F2NO2S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC NameN-[3-(difluoromethoxy)phenyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C11H15F2NO2S/c1-11(2,3)17(15)14-8-5-4-6-9(7-8)16-10(12)13/h4-7,10,14H,1-3H3
InChIKeyBSTGSVLPYFUYMB-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 139414582
(R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 139414588
3-(difluoromethoxy)-N-(2-methylpropyl)aniline
CID 43698814
2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887533
N-butyl-3-(difluoromethoxy)aniline
CID 43699124
3-[3-(difluoromethoxy)anilino]-2,2-dimethylpropan-1-ol
CID 81412020
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline
CID 55233867
(R)-2-methyl-N-naphthalen-2-ylpropane-2-sulfinamide
CID 57415446
1-(difluoromethoxy)-3-(sulfamoylamino)benzene
CID 112573446
(NE)-N-[[3-(difluoromethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 139428074
3-(difluoromethoxy)-N-hexylaniline
CID 43698714
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide
CID 61146338

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-2-methylpropane-2-sulfinamide (CID 139414623) is N-[3-(difluoromethoxy)phenyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)Nc1cccc(OC(F)F)c1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-2-methylpropane-2-sulfinamide?
The InChIKey is BSTGSVLPYFUYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2S/c1-11(2,3)17(15)14-8-5-4-6-9(7-8)16-10(12)13/h4-7,10,14H,1-3H3.
What are the key properties of N-[3-(difluoromethoxy)phenyl]-2-methylpropane-2-sulfinamide?
N-[3-(difluoromethoxy)phenyl]-2-methylpropane-2-sulfinamide has a molecular weight of 263.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 139414623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).