5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide

C11H15BrN2O3S — CID 113485245

IUPAC5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide
SMILESCOc1cc(Br)c(N)cc1S(=O)(=O)NC1(C)CC1
InChIInChI=1S/C11H15BrN2O3S/c1-11(3-4-11)14-18(15,16)10-6-8(13)7(12)5-9(10)17-2/h5-6,14H,3-4,13H2,1-2H3
InChIKeyYMGCYAQOQQGNLY-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.87
Rot. Bonds4

About 5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide

5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide (PubChem CID 113485245) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is 5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide
PubChem CID113485245
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC Name5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide
SMILESCOc1cc(Br)c(N)cc1S(=O)(=O)NC1(C)CC1
InChIInChI=1S/C11H15BrN2O3S/c1-11(3-4-11)14-18(15,16)10-6-8(13)7(12)5-9(10)17-2/h5-6,14H,3-4,13H2,1-2H3
InChIKeyYMGCYAQOQQGNLY-UHFFFAOYSA-N
XLogP1.87
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-4-bromo-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 81397762
5-amino-4-bromo-N-(2,2-dimethylcyclopropyl)-2-methoxybenzenesulfonamide
CID 81414164
5-amino-4-bromo-2-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 81397159
5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide
CID 81414565
5-amino-4-bromo-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 81414481
5-amino-4-bromo-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
CID 81413597
5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 81414818
5-amino-4-bromo-N-butan-2-yl-2-methoxybenzenesulfonamide
CID 81414235
2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-2-methylpropanamide
CID 81413600
5-amino-4-bromo-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 81413927
5-amino-4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxybenzenesulfonamide
CID 107213517
5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide
CID 81397943

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide (CID 113485245) is 5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide is COc1cc(Br)c(N)cc1S(=O)(=O)NC1(C)CC1.
What is the InChIKey of 5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide?
The InChIKey is YMGCYAQOQQGNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-11(3-4-11)14-18(15,16)10-6-8(13)7(12)5-9(10)17-2/h5-6,14H,3-4,13H2,1-2H3.
What are the key properties of 5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide?
5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide has a molecular weight of 335.22 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 113485245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).