5-amino-4-bromo-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide

C12H17BrN2O3S — CID 81413597

IUPAC5-amino-4-bromo-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(Br)c(N)cc1S(=O)(=O)NC(C)C1CC1
InChIInChI=1S/C12H17BrN2O3S/c1-7(8-3-4-8)15-19(16,17)12-6-10(14)9(13)5-11(12)18-2/h5-8,15H,3-4,14H2,1-2H3
InChIKeyMMPCGUJEJMSPBB-UHFFFAOYSA-N
MW349.25 g/mol
LogP2.12
Rot. Bonds5

About 5-amino-4-bromo-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide

5-amino-4-bromo-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide (PubChem CID 81413597) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 5-amino-4-bromo-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
PubChem CID81413597
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name5-amino-4-bromo-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(Br)c(N)cc1S(=O)(=O)NC(C)C1CC1
InChIInChI=1S/C12H17BrN2O3S/c1-7(8-3-4-8)15-19(16,17)12-6-10(14)9(13)5-11(12)18-2/h5-8,15H,3-4,14H2,1-2H3
InChIKeyMMPCGUJEJMSPBB-UHFFFAOYSA-N
XLogP2.12
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-4-bromo-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide 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-N-butan-2-yl-2-methoxybenzenesulfonamide
CID 81414235
4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
CID 43533120
5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide
CID 8817191
5-amino-4-bromo-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 81414481
5-amino-4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxybenzenesulfonamide
CID 107213517
2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 81396931
5-amino-4-bromo-N-(2,2-dimethylcyclopropyl)-2-methoxybenzenesulfonamide
CID 81414164
5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide
CID 81414565
5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide
CID 79974308
5-amino-4-bromo-2-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 81397159
5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113485245
5-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide
CID 81414494

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide (CID 81413597) is 5-amino-4-bromo-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide is COc1cc(Br)c(N)cc1S(=O)(=O)NC(C)C1CC1.
What is the InChIKey of 5-amino-4-bromo-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide?
The InChIKey is MMPCGUJEJMSPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-7(8-3-4-8)15-19(16,17)12-6-10(14)9(13)5-11(12)18-2/h5-8,15H,3-4,14H2,1-2H3.
What are the key properties of 5-amino-4-bromo-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide?
5-amino-4-bromo-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide has a molecular weight of 349.25 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 81413597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).