N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide

C14H15BrN2O3S — CID 61014555

IUPACN-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide
SMILESCOc1ccc(N)cc1CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O3S/c1-20-14-7-4-12(16)8-10(14)9-17-21(18,19)13-5-2-11(15)3-6-13/h2-8,17H,9,16H2,1H3
InChIKeyIPBFEIDLVVITHW-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.52
Rot. Bonds5

About N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide

N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide (PubChem CID 61014555) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide
PubChem CID61014555
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC NameN-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide
SMILESCOc1ccc(N)cc1CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O3S/c1-20-14-7-4-12(16)8-10(14)9-17-21(18,19)13-5-2-11(15)3-6-13/h2-8,17H,9,16H2,1H3
InChIKeyIPBFEIDLVVITHW-UHFFFAOYSA-N
XLogP2.52
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-bromophenyl)sulfonylmethyl]-4-methoxyaniline
CID 43444077
4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 114958694
N-[(5-amino-2-methoxyphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 54903401
4-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide
CID 94639528
N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 62062082
4-amino-N-[(2-bromo-4-hydroxy-5-methoxyphenyl)methyl]benzenesulfonamide
CID 68817319
3-bromo-N-[(2,5-dimethoxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 31827596
5-amino-2-bromo-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 65202045
N-[(5-amino-2-methoxyphenyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099528
N-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413904
N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide
CID 110780300
N-[(5-amino-2-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide
CID 54903496

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide?
The IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide (CID 61014555) is N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide.
What is the SMILES notation for N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide?
The canonical SMILES for N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide is COc1ccc(N)cc1CNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide?
The InChIKey is IPBFEIDLVVITHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-20-14-7-4-12(16)8-10(14)9-17-21(18,19)13-5-2-11(15)3-6-13/h2-8,17H,9,16H2,1H3.
What are the key properties of N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide?
N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide is sourced from PubChem (CID 61014555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).