N-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide

C13H21BrN2O3S — CID 106067184

IUPACN-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCOc1ccc(Br)c(NS(=O)(=O)C(C)CNC(C)C)c1
InChIInChI=1S/C13H21BrN2O3S/c1-9(2)15-8-10(3)20(17,18)16-13-7-11(19-4)5-6-12(13)14/h5-7,9-10,15-16H,8H2,1-4H3
InChIKeyXCLQIVJXYKROGN-UHFFFAOYSA-N
MW365.29 g/mol
LogP2.59
Rot. Bonds7

About N-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide

N-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 106067184) has the molecular formula C13H21BrN2O3S and a molecular weight of 365.29 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID106067184
Molecular FormulaC13H21BrN2O3S
Molecular Weight365.29 g/mol
Exact Mass364.05
IUPAC NameN-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCOc1ccc(Br)c(NS(=O)(=O)C(C)CNC(C)C)c1
InChIInChI=1S/C13H21BrN2O3S/c1-9(2)15-8-10(3)20(17,18)16-13-7-11(19-4)5-6-12(13)14/h5-7,9-10,15-16H,8H2,1-4H3
InChIKeyXCLQIVJXYKROGN-UHFFFAOYSA-N
XLogP2.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106061222
N-(2,5-dimethoxyphenyl)-1-(propylamino)propane-2-sulfonamide
CID 106058883
1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide
CID 106058868
2-bromo-5-methoxy-N-(propylsulfamoyl)aniline
CID 114808853
N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide
CID 63997402
N-(4,6-dimethoxypyrimidin-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106089584
N-(4-methoxy-3-methylphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106053288
2-[(2-bromo-5-methoxyphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 65326628
1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide
CID 106056014
N-(4-bromo-2,6-difluorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106066656
3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol
CID 115872019
2-bromo-5-methoxy-N-(3-methoxy-2-methylpropyl)aniline
CID 116501353

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide (CID 106067184) is N-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide is COc1ccc(Br)c(NS(=O)(=O)C(C)CNC(C)C)c1.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is XCLQIVJXYKROGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O3S/c1-9(2)15-8-10(3)20(17,18)16-13-7-11(19-4)5-6-12(13)14/h5-7,9-10,15-16H,8H2,1-4H3.
What are the key properties of N-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
N-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 365.29 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 106067184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).