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

C14H15BrN2O3S — CID 43605023

IUPACN-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C)cc2Br)ccc1N
InChIInChI=1S/C14H15BrN2O3S/c1-9-3-6-14(11(15)7-9)21(18,19)17-10-4-5-12(16)13(8-10)20-2/h3-8,17H,16H2,1-2H3
InChIKeyZRBRDJBRQUBKIA-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.15
Rot. Bonds4

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

N-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide (PubChem CID 43605023) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is N-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide
PubChem CID43605023
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC NameN-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C)cc2Br)ccc1N
InChIInChI=1S/C14H15BrN2O3S/c1-9-3-6-14(11(15)7-9)21(18,19)17-10-4-5-12(16)13(8-10)20-2/h3-8,17H,16H2,1-2H3
InChIKeyZRBRDJBRQUBKIA-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

N-(4-amino-3-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824835
N-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide
CID 43602585
N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824367
N-(4-amino-3-methoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 43604990
2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide
CID 82861269
2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 35506490
N-(4-amino-3-methoxyphenyl)-3-bromothiophene-2-sulfonamide
CID 61458011
2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide
CID 65436218
N-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43605036
4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 43256338
2,4-dibromo-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114840621
N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604989

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide (CID 43605023) is N-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(C)cc2Br)ccc1N.
What is the InChIKey of N-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide?
The InChIKey is ZRBRDJBRQUBKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-9-3-6-14(11(15)7-9)21(18,19)17-10-4-5-12(16)13(8-10)20-2/h3-8,17H,16H2,1-2H3.
What are the key properties of N-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide?
N-(4-amino-3-methoxyphenyl)-2-bromo-4-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 N-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide is sourced from PubChem (CID 43605023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).