4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide

C13H13BrN2O3S — CID 43257571

IUPAC4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H13BrN2O3S/c1-19-12-8-10(15)5-6-13(12)20(17,18)16-11-4-2-3-9(14)7-11/h2-8,16H,15H2,1H3
InChIKeyLMISRGMTSUNINN-UHFFFAOYSA-N
MW357.23 g/mol
LogP2.84
Rot. Bonds4

About 4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide

4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide (PubChem CID 43257571) has the molecular formula C13H13BrN2O3S and a molecular weight of 357.23 g/mol. Its IUPAC name is 4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
PubChem CID43257571
Molecular FormulaC13H13BrN2O3S
Molecular Weight357.23 g/mol
Exact Mass355.98
IUPAC Name4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H13BrN2O3S/c1-19-12-8-10(15)5-6-13(12)20(17,18)16-11-4-2-3-9(14)7-11/h2-8,16H,15H2,1H3
InChIKeyLMISRGMTSUNINN-UHFFFAOYSA-N
XLogP2.84
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 52.84
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

5-amino-4-bromo-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 81397536
4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide
CID 43257540
5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide
CID 43662937
4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide
CID 43258342
5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 106061488
4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 43258667
5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide
CID 43124455
2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 22773637
5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 82859179
4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide
CID 43255899
N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide
CID 43602608
5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 79961698

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide (CID 43257571) is 4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)Nc1cccc(Br)c1.
What is the InChIKey of 4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide?
The InChIKey is LMISRGMTSUNINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S/c1-19-12-8-10(15)5-6-13(12)20(17,18)16-11-4-2-3-9(14)7-11/h2-8,16H,15H2,1H3.
What are the key properties of 4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide?
4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide has a molecular weight of 357.23 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 43257571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).