4-amino-2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide

C13H14BrN3O3S — CID 62990223

IUPAC4-amino-2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(N)cc2Br)cn1
InChIInChI=1S/C13H14BrN3O3S/c1-20-13-5-2-9(7-16-13)8-17-21(18,19)12-4-3-10(15)6-11(12)14/h2-7,17H,8,15H2,1H3
InChIKeyKRUGVDGKOUFIBT-UHFFFAOYSA-N
MW372.24 g/mol
LogP1.91
Rot. Bonds5

About 4-amino-2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide

4-amino-2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 62990223) has the molecular formula C13H14BrN3O3S and a molecular weight of 372.24 g/mol. Its IUPAC name is 4-amino-2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID62990223
Molecular FormulaC13H14BrN3O3S
Molecular Weight372.24 g/mol
Exact Mass370.99
IUPAC Name4-amino-2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(N)cc2Br)cn1
InChIInChI=1S/C13H14BrN3O3S/c1-20-13-5-2-9(7-16-13)8-17-21(18,19)12-4-3-10(15)6-11(12)14/h2-7,17H,8,15H2,1H3
InChIKeyKRUGVDGKOUFIBT-UHFFFAOYSA-N
XLogP1.91
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 51320454
4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106899208
2-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 62990585
4-amino-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 62990765
4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide
CID 51320453
4-amino-2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 62996892
5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 65202378
6-hydrazinyl-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 62990289
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 134036423
4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide
CID 43255757
N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide
CID 62989325
N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide
CID 51320441

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide (CID 62990223) is 4-amino-2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(N)cc2Br)cn1.
What is the InChIKey of 4-amino-2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is KRUGVDGKOUFIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3S/c1-20-13-5-2-9(7-16-13)8-17-21(18,19)12-4-3-10(15)6-11(12)14/h2-7,17H,8,15H2,1H3.
What are the key properties of 4-amino-2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide?
4-amino-2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 372.24 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 62990223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).