N-(4-bromo-2,6-difluorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide

C12H17BrF2N2O2S — CID 106066656

IUPACN-(4-bromo-2,6-difluorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C12H17BrF2N2O2S/c1-7(2)16-6-8(3)20(18,19)17-12-10(14)4-9(13)5-11(12)15/h4-5,7-8,16-17H,6H2,1-3H3
InChIKeyOIKUGPYFDRRGBY-UHFFFAOYSA-N
MW371.25 g/mol
LogP2.86
Rot. Bonds6

About N-(4-bromo-2,6-difluorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide

N-(4-bromo-2,6-difluorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 106066656) has the molecular formula C12H17BrF2N2O2S and a molecular weight of 371.25 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID106066656
Molecular FormulaC12H17BrF2N2O2S
Molecular Weight371.25 g/mol
Exact Mass370.02
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C12H17BrF2N2O2S/c1-7(2)16-6-8(3)20(18,19)17-12-10(14)4-9(13)5-11(12)15/h4-5,7-8,16-17H,6H2,1-3H3
InChIKeyOIKUGPYFDRRGBY-UHFFFAOYSA-N
XLogP2.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.25
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-chlorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106073470
1-(propylamino)-N-(2,4,6-trifluorophenyl)propane-2-sulfonamide
CID 106069542
1-(methylamino)-N-(2,3,5,6-tetrafluorophenyl)propane-2-sulfonamide
CID 106087564
N-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106061222
N-(4-bromo-2,6-dimethylphenyl)-1-hydroxypropane-2-sulfonamide
CID 114133756
N-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106067184
1-(cyclopropylamino)-N-(2,4,6-tribromophenyl)propane-2-sulfonamide
CID 106002465
4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline
CID 65468716
4-bromo-2,6-difluoro-N-(1-methylsulfonylpropan-2-yl)aniline
CID 65467956
N-(4,6-dimethoxypyrimidin-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106089584
1-(methylamino)-N-(2,3,4,5,6-pentafluorophenyl)propane-2-sulfonamide
CID 106074521
5-(aminomethyl)-N-(4-bromo-2,6-difluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106066663

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide (CID 106066656) is N-(4-bromo-2,6-difluorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide is CC(C)NCC(C)S(=O)(=O)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is OIKUGPYFDRRGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrF2N2O2S/c1-7(2)16-6-8(3)20(18,19)17-12-10(14)4-9(13)5-11(12)15/h4-5,7-8,16-17H,6H2,1-3H3.
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
N-(4-bromo-2,6-difluorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 371.25 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 106066656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).