4-bromo-1-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene

C11H17BrN2O3S — CID 54967949

IUPAC4-bromo-1-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
SMILESCOc1ccc(Br)cc1NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C11H17BrN2O3S/c1-8(2)14(3)18(15,16)13-10-7-9(12)5-6-11(10)17-4/h5-8,13H,1-4H3
InChIKeyZZJPVVLPHMRVJG-UHFFFAOYSA-N
MW337.24 g/mol
LogP2.45
Rot. Bonds5

About 4-bromo-1-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene

4-bromo-1-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene (PubChem CID 54967949) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is 4-bromo-1-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene.

Molecular Properties

Compound Name4-bromo-1-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
PubChem CID54967949
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC Name4-bromo-1-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
SMILESCOc1ccc(Br)cc1NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C11H17BrN2O3S/c1-8(2)14(3)18(15,16)13-10-7-9(12)5-6-11(10)17-4/h5-8,13H,1-4H3
InChIKeyZZJPVVLPHMRVJG-UHFFFAOYSA-N
XLogP2.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 54968220
2-(dimethylsulfamoylamino)-1-methoxy-4-propan-2-ylbenzene
CID 110776791
5-chloro-2-methoxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid
CID 61455915
N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43605604
N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 47310946
N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide
CID 47310957
N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47310958
N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide
CID 63530508
2-[(5-bromo-2-methoxyphenyl)carbamoyl-methylamino]propanoic acid
CID 62639776
4-tert-butyl-2-(dimethylsulfamoylamino)-1-methoxybenzene
CID 110776709
N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide
CID 61061898
4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzenesulfonamide
CID 82845895

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The IUPAC name of 4-bromo-1-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene (CID 54967949) is 4-bromo-1-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene.
What is the SMILES notation for 4-bromo-1-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The canonical SMILES for 4-bromo-1-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene is COc1ccc(Br)cc1NS(=O)(=O)N(C)C(C)C.
What is the InChIKey of 4-bromo-1-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The InChIKey is ZZJPVVLPHMRVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-8(2)14(3)18(15,16)13-10-7-9(12)5-6-11(10)17-4/h5-8,13H,1-4H3.
What are the key properties of 4-bromo-1-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
4-bromo-1-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene has a molecular weight of 337.24 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene is sourced from PubChem (CID 54967949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).