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

C10H7Br2NO3S2 — CID 81495157

IUPAC3-bromo-N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(Br)c1O)c1sccc1Br
InChIInChI=1S/C10H7Br2NO3S2/c11-6-2-1-3-8(9(6)14)13-18(15,16)10-7(12)4-5-17-10/h1-5,13-14H
InChIKeyGSIYPQXYHWISIP-UHFFFAOYSA-N
MW413.11 g/mol
LogP3.78
Rot. Bonds3

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

3-bromo-N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide (PubChem CID 81495157) has the molecular formula C10H7Br2NO3S2 and a molecular weight of 413.11 g/mol. Its IUPAC name is 3-bromo-N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide
PubChem CID81495157
Molecular FormulaC10H7Br2NO3S2
Molecular Weight413.11 g/mol
Exact Mass410.82
IUPAC Name3-bromo-N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(Br)c1O)c1sccc1Br
InChIInChI=1S/C10H7Br2NO3S2/c11-6-2-1-3-8(9(6)14)13-18(15,16)10-7(12)4-5-17-10/h1-5,13-14H
InChIKeyGSIYPQXYHWISIP-UHFFFAOYSA-N
XLogP3.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide (CID 81495157) is 3-bromo-N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide is O=S(=O)(Nc1cccc(Br)c1O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide?
The InChIKey is GSIYPQXYHWISIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2NO3S2/c11-6-2-1-3-8(9(6)14)13-18(15,16)10-7(12)4-5-17-10/h1-5,13-14H.
What are the key properties of 3-bromo-N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide?
3-bromo-N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide has a molecular weight of 413.11 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 81495157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).