4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide

C14H15BrN2O3S — CID 82859753

IUPAC4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide
SMILESCOc1cc(Br)cc(NS(=O)(=O)c2ccc(CN)cc2)c1
InChIInChI=1S/C14H15BrN2O3S/c1-20-13-7-11(15)6-12(8-13)17-21(18,19)14-4-2-10(9-16)3-5-14/h2-8,17H,9,16H2,1H3
InChIKeyZRGMNPFROWQCQY-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.72
Rot. Bonds5

About 4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide

4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide (PubChem CID 82859753) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide
PubChem CID82859753
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide
SMILESCOc1cc(Br)cc(NS(=O)(=O)c2ccc(CN)cc2)c1
InChIInChI=1S/C14H15BrN2O3S/c1-20-13-7-11(15)6-12(8-13)17-21(18,19)14-4-2-10(9-16)3-5-14/h2-8,17H,9,16H2,1H3
InChIKeyZRGMNPFROWQCQY-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)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

4-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbenzenesulfonamide
CID 82859346
6-amino-N-(3-bromo-5-methoxyphenyl)pyridine-3-sulfonamide
CID 82858181
2-bromo-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide
CID 82860132
N-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide
CID 135348470
4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride
CID 172999625
2-amino-N-(3-bromo-5-methoxyphenyl)-6-chlorobenzenesulfonamide
CID 82859345
2-amino-N-(3-bromo-5-methoxyphenyl)-6-fluorobenzenesulfonamide
CID 82859351
4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 16643195
N-(3-bromo-5-methoxyphenyl)-2-methylpropane-1-sulfonamide
CID 135348293
4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61468511
N-(3-bromo-5-methylphenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107584266
N-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 51354314

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide (CID 82859753) is 4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide is COc1cc(Br)cc(NS(=O)(=O)c2ccc(CN)cc2)c1.
What is the InChIKey of 4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide?
The InChIKey is ZRGMNPFROWQCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-20-13-7-11(15)6-12(8-13)17-21(18,19)14-4-2-10(9-16)3-5-14/h2-8,17H,9,16H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide?
4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 82859753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).