N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide

C10H15BrN2O3S — CID 63733775

IUPACN-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)N)cc1Br
InChIInChI=1S/C10H15BrN2O3S/c1-7(12)6-13-17(14,15)8-3-4-10(16-2)9(11)5-8/h3-5,7,13H,6,12H2,1-2H3
InChIKeyCRNPQRTZVIBHOX-UHFFFAOYSA-N
MW323.21 g/mol
LogP1.08
Rot. Bonds5

About N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide

N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide (PubChem CID 63733775) has the molecular formula C10H15BrN2O3S and a molecular weight of 323.21 g/mol. Its IUPAC name is N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide
PubChem CID63733775
Molecular FormulaC10H15BrN2O3S
Molecular Weight323.21 g/mol
Exact Mass322.00
IUPAC NameN-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)N)cc1Br
InChIInChI=1S/C10H15BrN2O3S/c1-7(12)6-13-17(14,15)8-3-4-10(16-2)9(11)5-8/h3-5,7,13H,6,12H2,1-2H3
InChIKeyCRNPQRTZVIBHOX-UHFFFAOYSA-N
XLogP1.08
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-methoxy-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 78966879
3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide
CID 32945181
3-bromo-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63961409
N-[(2R)-2-aminopropyl]-3-bromo-4-methylbenzenesulfonamide
CID 124628497
3-bromo-4-methoxy-N-(2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 112727228
3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2880554
3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 4843656
3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 2263565
3-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-methoxybenzenesulfonamide
CID 55913499
3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
CID 103723853
methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate
CID 55029414
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide (CID 63733775) is N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(C)N)cc1Br.
What is the InChIKey of N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide?
The InChIKey is CRNPQRTZVIBHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3S/c1-7(12)6-13-17(14,15)8-3-4-10(16-2)9(11)5-8/h3-5,7,13H,6,12H2,1-2H3.
What are the key properties of N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide?
N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide has a molecular weight of 323.21 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide is sourced from PubChem (CID 63733775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).