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

C14H15BrN2O3S — CID 82859346

IUPAC4-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbenzenesulfonamide
SMILESCOc1cc(Br)cc(NS(=O)(=O)c2ccc(N)c(C)c2)c1
InChIInChI=1S/C14H15BrN2O3S/c1-9-5-13(3-4-14(9)16)21(18,19)17-11-6-10(15)7-12(8-11)20-2/h3-8,17H,16H2,1-2H3
InChIKeySODXDVGCRDPOCT-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.15
Rot. Bonds4

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

4-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbenzenesulfonamide (PubChem CID 82859346) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 4-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbenzenesulfonamide
PubChem CID82859346
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name4-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbenzenesulfonamide
SMILESCOc1cc(Br)cc(NS(=O)(=O)c2ccc(N)c(C)c2)c1
InChIInChI=1S/C14H15BrN2O3S/c1-9-5-13(3-4-14(9)16)21(18,19)17-11-6-10(15)7-12(8-11)20-2/h3-8,17H,16H2,1-2H3
InChIKeySODXDVGCRDPOCT-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

6-amino-N-(3-bromo-5-methoxyphenyl)pyridine-3-sulfonamide
CID 82858181
4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide
CID 82859753
2-amino-N-(3-bromo-5-methoxyphenyl)-6-fluorobenzenesulfonamide
CID 82859351
2-amino-N-(3-bromo-5-methoxyphenyl)-6-chlorobenzenesulfonamide
CID 82859345
2-bromo-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide
CID 82860132
3-amino-N-(3-bromo-5-methylphenyl)-4-fluorobenzenesulfonamide
CID 107581716
4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442035
4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 82843846
N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 39439923
N-(3-bromo-5-methoxyphenyl)-2-methylpropane-1-sulfonamide
CID 135348293
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
N-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 51354314

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbenzenesulfonamide (CID 82859346) is 4-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbenzenesulfonamide is COc1cc(Br)cc(NS(=O)(=O)c2ccc(N)c(C)c2)c1.
What is the InChIKey of 4-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbenzenesulfonamide?
The InChIKey is SODXDVGCRDPOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-9-5-13(3-4-14(9)16)21(18,19)17-11-6-10(15)7-12(8-11)20-2/h3-8,17H,16H2,1-2H3.
What are the key properties of 4-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbenzenesulfonamide?
4-amino-N-(3-bromo-5-methoxyphenyl)-3-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 4-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 82859346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).