2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide

C12H11BrN2O3S — CID 61167481

IUPAC2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESNc1ccc(Br)cc1S(=O)(=O)Nc1cccc(O)c1
InChIInChI=1S/C12H11BrN2O3S/c13-8-4-5-11(14)12(6-8)19(17,18)15-9-2-1-3-10(16)7-9/h1-7,15-16H,14H2
InChIKeyVDGOEXNJIOVGQC-UHFFFAOYSA-N
MW343.20 g/mol
LogP2.54
Rot. Bonds3

About 2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide

2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide (PubChem CID 61167481) has the molecular formula C12H11BrN2O3S and a molecular weight of 343.20 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide
PubChem CID61167481
Molecular FormulaC12H11BrN2O3S
Molecular Weight343.20 g/mol
Exact Mass341.97
IUPAC Name2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESNc1ccc(Br)cc1S(=O)(=O)Nc1cccc(O)c1
InChIInChI=1S/C12H11BrN2O3S/c13-8-4-5-11(14)12(6-8)19(17,18)15-9-2-1-3-10(16)7-9/h1-7,15-16H,14H2
InChIKeyVDGOEXNJIOVGQC-UHFFFAOYSA-N
XLogP2.54
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-bromo-N-(3-iodophenyl)benzenesulfonamide
CID 54888660
4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 116527650
2-amino-5-bromo-N-(3-ethynylphenyl)benzenesulfonamide
CID 61111211
2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 63401790
2-amino-5-bromo-N-(2-bromo-6-fluorophenyl)benzenesulfonamide
CID 107596358
3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 56688809
3-amino-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 61166903
2-amino-5-bromo-N-(3-bromophenyl)-4-fluorobenzenesulfonamide
CID 106491258
(2-amino-5-bromophenyl)sulfonylurea
CID 116646105
2,4,5-trichloro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 39845466
N-(2-amino-4-hydroxyphenyl)-2,5-dibromobenzenesulfonamide
CID 107697937
3-[(2-amino-5-fluorophenyl)sulfonylamino]benzamide
CID 61107352

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide (CID 61167481) is 2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide is Nc1ccc(Br)cc1S(=O)(=O)Nc1cccc(O)c1.
What is the InChIKey of 2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide?
The InChIKey is VDGOEXNJIOVGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3S/c13-8-4-5-11(14)12(6-8)19(17,18)15-9-2-1-3-10(16)7-9/h1-7,15-16H,14H2.
What are the key properties of 2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide?
2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide has a molecular weight of 343.20 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 61167481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).