5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide

C14H15BrN2O3S — CID 82859179

IUPAC5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(N)ccc2C)ccc1Br
InChIInChI=1S/C14H15BrN2O3S/c1-9-3-4-10(16)7-14(9)21(18,19)17-11-5-6-12(15)13(8-11)20-2/h3-8,17H,16H2,1-2H3
InChIKeyYEPUYEMNMNTPLF-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.15
Rot. Bonds4

About 5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide

5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide (PubChem CID 82859179) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide
PubChem CID82859179
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(N)ccc2C)ccc1Br
InChIInChI=1S/C14H15BrN2O3S/c1-9-3-4-10(16)7-14(9)21(18,19)17-11-5-6-12(15)13(8-11)20-2/h3-8,17H,16H2,1-2H3
InChIKeyYEPUYEMNMNTPLF-UHFFFAOYSA-N
XLogP3.15
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.15
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-N-(4-aminophenyl)-2-methylbenzenesulfonamide
CID 57346246
2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide
CID 82861269
N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369936
4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 43256338
4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 43257571
5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 8512676
N-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide
CID 43605023
4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 43380676
5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide
CID 29285974
5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 3310244
N-(5-amino-2-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 28941062
6-amino-N-(4-bromo-3-methoxyphenyl)pyridine-3-sulfonamide
CID 82857469

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide (CID 82859179) is 5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide is COc1cc(NS(=O)(=O)c2cc(N)ccc2C)ccc1Br.
What is the InChIKey of 5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide?
The InChIKey is YEPUYEMNMNTPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-9-3-4-10(16)7-14(9)21(18,19)17-11-5-6-12(15)13(8-11)20-2/h3-8,17H,16H2,1-2H3.
What are the key properties of 5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide?
5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 82859179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).