2,5-dibromo-N-[2-(hydroxymethyl)phenyl]thiophene-3-sulfonamide

C11H9Br2NO3S2 — CID 60651453

IUPAC2,5-dibromo-N-[2-(hydroxymethyl)phenyl]thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccccc1CO)c1cc(Br)sc1Br
InChIInChI=1S/C11H9Br2NO3S2/c12-10-5-9(11(13)18-10)19(16,17)14-8-4-2-1-3-7(8)6-15/h1-5,14-15H,6H2
InChIKeyOJAHFLQHNFKWDG-UHFFFAOYSA-N
MW427.14 g/mol
LogP3.57
Rot. Bonds4

About 2,5-dibromo-N-[2-(hydroxymethyl)phenyl]thiophene-3-sulfonamide

2,5-dibromo-N-[2-(hydroxymethyl)phenyl]thiophene-3-sulfonamide (PubChem CID 60651453) has the molecular formula C11H9Br2NO3S2 and a molecular weight of 427.14 g/mol. Its IUPAC name is 2,5-dibromo-N-[2-(hydroxymethyl)phenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[2-(hydroxymethyl)phenyl]thiophene-3-sulfonamide
PubChem CID60651453
Molecular FormulaC11H9Br2NO3S2
Molecular Weight427.14 g/mol
Exact Mass424.84
IUPAC Name2,5-dibromo-N-[2-(hydroxymethyl)phenyl]thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccccc1CO)c1cc(Br)sc1Br
InChIInChI=1S/C11H9Br2NO3S2/c12-10-5-9(11(13)18-10)19(16,17)14-8-4-2-1-3-7(8)6-15/h1-5,14-15H,6H2
InChIKeyOJAHFLQHNFKWDG-UHFFFAOYSA-N
XLogP3.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.14
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 103601783
4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
CID 107649995
5-amino-2-[(2,5-dibromothiophen-3-yl)sulfonylamino]benzoic acid
CID 43604385
2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-5-iodobenzoic acid
CID 63408848
2,6-dichloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
CID 53352077
2,5-dibromo-N-[4-(methylamino)phenyl]thiophene-3-sulfonamide
CID 43604086
2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide
CID 106843930
5-(aminomethyl)-2-bromo-N-(2-iodophenyl)thiophene-3-sulfonamide
CID 106030310
2-bromo-N-(2-ethylphenyl)benzenesulfonamide
CID 26949668
5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide
CID 115753828
3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid
CID 43218183
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[2-(hydroxymethyl)phenyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dibromo-N-[2-(hydroxymethyl)phenyl]thiophene-3-sulfonamide (CID 60651453) is 2,5-dibromo-N-[2-(hydroxymethyl)phenyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[2-(hydroxymethyl)phenyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dibromo-N-[2-(hydroxymethyl)phenyl]thiophene-3-sulfonamide is O=S(=O)(Nc1ccccc1CO)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-[2-(hydroxymethyl)phenyl]thiophene-3-sulfonamide?
The InChIKey is OJAHFLQHNFKWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2NO3S2/c12-10-5-9(11(13)18-10)19(16,17)14-8-4-2-1-3-7(8)6-15/h1-5,14-15H,6H2.
What are the key properties of 2,5-dibromo-N-[2-(hydroxymethyl)phenyl]thiophene-3-sulfonamide?
2,5-dibromo-N-[2-(hydroxymethyl)phenyl]thiophene-3-sulfonamide has a molecular weight of 427.14 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[2-(hydroxymethyl)phenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 60651453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).