N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide

C13H12Br2N2O3S — CID 60824367

IUPACN-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2Br)cc1N
InChIInChI=1S/C13H12Br2N2O3S/c1-20-12-4-3-9(7-11(12)16)17-21(18,19)13-5-2-8(14)6-10(13)15/h2-7,17H,16H2,1H3
InChIKeyOVDBBIVSQJSCMA-UHFFFAOYSA-N
MW436.13 g/mol
LogP3.60
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide

N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide (PubChem CID 60824367) has the molecular formula C13H12Br2N2O3S and a molecular weight of 436.13 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide
PubChem CID60824367
Molecular FormulaC13H12Br2N2O3S
Molecular Weight436.13 g/mol
Exact Mass433.89
IUPAC NameN-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2Br)cc1N
InChIInChI=1S/C13H12Br2N2O3S/c1-20-12-4-3-9(7-11(12)16)17-21(18,19)13-5-2-8(14)6-10(13)15/h2-7,17H,16H2,1H3
InChIKeyOVDBBIVSQJSCMA-UHFFFAOYSA-N
XLogP3.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.13
LogP ≤ 53.60
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
2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide
CID 82861269
N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide
CID 43604638
2,4-dibromo-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114840621
N-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide
CID 43605023
4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 43256338
5-amino-4-bromo-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 81397536
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623
N-(3-amino-4-methoxyphenyl)methanesulfonamide
CID 10560665
N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43605604
2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide
CID 79466769
2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide (CID 60824367) is N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(Br)cc2Br)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide?
The InChIKey is OVDBBIVSQJSCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O3S/c1-20-12-4-3-9(7-11(12)16)17-21(18,19)13-5-2-8(14)6-10(13)15/h2-7,17H,16H2,1H3.
What are the key properties of N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide?
N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide has a molecular weight of 436.13 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide is sourced from PubChem (CID 60824367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).