N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide

C10H8BrNO3S2 — CID 81497250

IUPACN-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(Br)c1O)c1cccs1
InChIInChI=1S/C10H8BrNO3S2/c11-7-3-1-4-8(10(7)13)12-17(14,15)9-5-2-6-16-9/h1-6,12-13H
InChIKeyUTASKHDNJRTNLH-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.02
Rot. Bonds3

About N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide

N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide (PubChem CID 81497250) has the molecular formula C10H8BrNO3S2 and a molecular weight of 334.22 g/mol. Its IUPAC name is N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide
PubChem CID81497250
Molecular FormulaC10H8BrNO3S2
Molecular Weight334.22 g/mol
Exact Mass332.91
IUPAC NameN-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(Br)c1O)c1cccs1
InChIInChI=1S/C10H8BrNO3S2/c11-7-3-1-4-8(10(7)13)12-17(14,15)9-5-2-6-16-9/h1-6,12-13H
InChIKeyUTASKHDNJRTNLH-UHFFFAOYSA-N
XLogP3.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid
CID 104833093
3-bromo-N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81495157
methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate
CID 108783728
N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 7939241
N-(3-fluoro-2-sulfamoylphenyl)thiophene-2-sulfonamide
CID 122150617
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
N-(5-bromo-2-methylphenyl)thiophene-2-sulfonamide
CID 3864055
N-(5-bromo-2-chlorophenyl)thiophene-2-sulfonamide
CID 55132063
N-(2-tert-butylphenyl)thiophene-2-sulfonamide
CID 3861926
N-(2,6-dibromo-4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2473604
N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837
N-fluorothiophene-2-sulfonamide
CID 175398216

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide (CID 81497250) is N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide is O=S(=O)(Nc1cccc(Br)c1O)c1cccs1.
What is the InChIKey of N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide?
The InChIKey is UTASKHDNJRTNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3S2/c11-7-3-1-4-8(10(7)13)12-17(14,15)9-5-2-6-16-9/h1-6,12-13H.
What are the key properties of N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide?
N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide has a molecular weight of 334.22 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 81497250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).