4-amino-N-[(2-bromo-4-hydroxy-5-methoxyphenyl)methyl]benzenesulfonamide

C14H15BrN2O4S — CID 68817319

IUPAC4-amino-N-[(2-bromo-4-hydroxy-5-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccc(N)cc2)c(Br)cc1O
InChIInChI=1S/C14H15BrN2O4S/c1-21-14-6-9(12(15)7-13(14)18)8-17-22(19,20)11-4-2-10(16)3-5-11/h2-7,17-18H,8,16H2,1H3
InChIKeyNUSKCDPBOIBCEQ-UHFFFAOYSA-N
MW387.26 g/mol
LogP2.22
Rot. Bonds5

About 4-amino-N-[(2-bromo-4-hydroxy-5-methoxyphenyl)methyl]benzenesulfonamide

4-amino-N-[(2-bromo-4-hydroxy-5-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 68817319) has the molecular formula C14H15BrN2O4S and a molecular weight of 387.26 g/mol. Its IUPAC name is 4-amino-N-[(2-bromo-4-hydroxy-5-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(2-bromo-4-hydroxy-5-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID68817319
Molecular FormulaC14H15BrN2O4S
Molecular Weight387.26 g/mol
Exact Mass385.99
IUPAC Name4-amino-N-[(2-bromo-4-hydroxy-5-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccc(N)cc2)c(Br)cc1O
InChIInChI=1S/C14H15BrN2O4S/c1-21-14-6-9(12(15)7-13(14)18)8-17-22(19,20)11-4-2-10(16)3-5-11/h2-7,17-18H,8,16H2,1H3
InChIKeyNUSKCDPBOIBCEQ-UHFFFAOYSA-N
XLogP2.22
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide
CID 61014555
5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol
CID 117372651
N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 43550358
3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 4843656
3-bromo-N-[(2,5-dimethoxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 31827596
5-amino-2-bromo-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 65202045
N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 115753767
N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 43604563
5-bromo-2-methoxy-4-[(2-methoxyethylamino)methyl]phenol
CID 115625537
4-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide
CID 94639528
N-ethyl-3-hydroxy-4-methoxybenzenesulfonamide
CID 165487001
4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 114958694

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-bromo-4-hydroxy-5-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[(2-bromo-4-hydroxy-5-methoxyphenyl)methyl]benzenesulfonamide (CID 68817319) is 4-amino-N-[(2-bromo-4-hydroxy-5-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(2-bromo-4-hydroxy-5-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[(2-bromo-4-hydroxy-5-methoxyphenyl)methyl]benzenesulfonamide is COc1cc(CNS(=O)(=O)c2ccc(N)cc2)c(Br)cc1O.
What is the InChIKey of 4-amino-N-[(2-bromo-4-hydroxy-5-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is NUSKCDPBOIBCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O4S/c1-21-14-6-9(12(15)7-13(14)18)8-17-22(19,20)11-4-2-10(16)3-5-11/h2-7,17-18H,8,16H2,1H3.
What are the key properties of 4-amino-N-[(2-bromo-4-hydroxy-5-methoxyphenyl)methyl]benzenesulfonamide?
4-amino-N-[(2-bromo-4-hydroxy-5-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 387.26 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-bromo-4-hydroxy-5-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 68817319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).