N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide

C13H13BrN2O3S — CID 43604638

IUPACN-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N
InChIInChI=1S/C13H13BrN2O3S/c1-19-13-7-4-10(8-12(13)15)16-20(17,18)11-5-2-9(14)3-6-11/h2-8,16H,15H2,1H3
InChIKeySBYKOLSUYSDATP-UHFFFAOYSA-N
MW357.23 g/mol
LogP2.84
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide

N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide (PubChem CID 43604638) has the molecular formula C13H13BrN2O3S and a molecular weight of 357.23 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide
PubChem CID43604638
Molecular FormulaC13H13BrN2O3S
Molecular Weight357.23 g/mol
Exact Mass355.98
IUPAC NameN-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N
InChIInChI=1S/C13H13BrN2O3S/c1-19-13-7-4-10(8-12(13)15)16-20(17,18)11-5-2-9(14)3-6-11/h2-8,16H,15H2,1H3
InChIKeySBYKOLSUYSDATP-UHFFFAOYSA-N
XLogP2.84
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 52.84
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-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824367
N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide
CID 43604632
N-(3-amino-4-methoxyphenyl)methanesulfonamide
CID 10560665
N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 39439923
3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide
CID 26982440
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28536732
N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875
3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 28528828
4-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 6918647
3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 61168280
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4832626
3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584520

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide (CID 43604638) is N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide?
The InChIKey is SBYKOLSUYSDATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S/c1-19-13-7-4-10(8-12(13)15)16-20(17,18)11-5-2-9(14)3-6-11/h2-8,16H,15H2,1H3.
What are the key properties of N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide?
N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide has a molecular weight of 357.23 g/mol, XLogP of 2.84, 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)-4-bromobenzenesulfonamide is sourced from PubChem (CID 43604638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).