3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide

C11H9Br2NO3S2 — CID 63997607

IUPAC3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2sccc2Br)cc1Br
InChIInChI=1S/C11H9Br2NO3S2/c1-17-10-3-2-7(6-9(10)13)14-19(15,16)11-8(12)4-5-18-11/h2-6,14H,1H3
InChIKeyUIIODALHODQNOG-UHFFFAOYSA-N
MW427.14 g/mol
LogP4.08
Rot. Bonds4

About 3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide

3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide (PubChem CID 63997607) has the molecular formula C11H9Br2NO3S2 and a molecular weight of 427.14 g/mol. Its IUPAC name is 3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide
PubChem CID63997607
Molecular FormulaC11H9Br2NO3S2
Molecular Weight427.14 g/mol
Exact Mass424.84
IUPAC Name3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2sccc2Br)cc1Br
InChIInChI=1S/C11H9Br2NO3S2/c1-17-10-3-2-7(6-9(10)13)14-19(15,16)11-8(12)4-5-18-11/h2-6,14H,1H3
InChIKeyUIIODALHODQNOG-UHFFFAOYSA-N
XLogP4.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.14
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-3-methoxyphenyl)-3-bromothiophene-2-sulfonamide
CID 61458011
N-(3-bromo-4-methoxyphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106067026
3-bromo-N-[3-chloro-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 61063464
3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide
CID 61061972
3-[(3-bromothiophen-2-yl)sulfonylamino]-4-methoxybenzamide
CID 61062315
3-bromo-N-(3-chloro-4-fluorophenyl)thiophene-2-sulfonamide
CID 61063460
5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide
CID 106067006
3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide
CID 61063289
3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide
CID 61062460
3-bromo-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 61063599
N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
CID 26875602
N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 63998008

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide (CID 63997607) is 3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2sccc2Br)cc1Br.
What is the InChIKey of 3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide?
The InChIKey is UIIODALHODQNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2NO3S2/c1-17-10-3-2-7(6-9(10)13)14-19(15,16)11-8(12)4-5-18-11/h2-6,14H,1H3.
What are the key properties of 3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide?
3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide has a molecular weight of 427.14 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 63997607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).