4,5-dibromo-N,N-dimethylthiophene-2-sulfonamide

C6H7Br2NO2S2 — CID 4134791

IUPAC4,5-dibromo-N,N-dimethylthiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C6H7Br2NO2S2/c1-9(2)13(10,11)5-3-4(7)6(8)12-5/h3H,1-2H3
InChIKeyYJVPXVDEJJNEAY-UHFFFAOYSA-N
MW349.07 g/mol
LogP2.52
Rot. Bonds2

About 4,5-dibromo-N,N-dimethylthiophene-2-sulfonamide

4,5-dibromo-N,N-dimethylthiophene-2-sulfonamide (PubChem CID 4134791) has the molecular formula C6H7Br2NO2S2 and a molecular weight of 349.07 g/mol. Its IUPAC name is 4,5-dibromo-N,N-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dibromo-N,N-dimethylthiophene-2-sulfonamide
PubChem CID4134791
Molecular FormulaC6H7Br2NO2S2
Molecular Weight349.07 g/mol
Exact Mass346.83
IUPAC Name4,5-dibromo-N,N-dimethylthiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C6H7Br2NO2S2/c1-9(2)13(10,11)5-3-4(7)6(8)12-5/h3H,1-2H3
InChIKeyYJVPXVDEJJNEAY-UHFFFAOYSA-N
XLogP2.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-2-thiophenesulfonamide
CID 1241304
5-bromo-N-methylthiophene-2-sulfonamide
CID 1520364
4,5-Dibromothiophene-2-sulfonyl chloride
CID 522755
3,5-Dibromothiophene-2-sulfonyl chloride
CID 12874987
1-(3,5-Dibromothiophen-2-yl)sulfonylpyrrolidine
CID 2740057
4-(3,5-Dibromothiophen-2-yl)sulfonylthiomorpholine
CID 2740059
1-(4,5-Dibromothiophen-2-yl)sulfonyl-4-ethylpiperazine
CID 4082143
3,5-Dibromothiophene-2-sulfonamide
CID 2740055
1-(4,5-Dibromothiophen-2-yl)sulfonylpyrrolidine
CID 2740330
4,5-Dibromo-2-ethylsulfonylthiophene
CID 129807577
5-bromo-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide
CID 115611946
4,5-Dibromothiophene-2-sulfonamide
CID 2805145

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N,N-dimethylthiophene-2-sulfonamide?
The IUPAC name of 4,5-dibromo-N,N-dimethylthiophene-2-sulfonamide (CID 4134791) is 4,5-dibromo-N,N-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dibromo-N,N-dimethylthiophene-2-sulfonamide?
The canonical SMILES for 4,5-dibromo-N,N-dimethylthiophene-2-sulfonamide is CN(C)S(=O)(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N,N-dimethylthiophene-2-sulfonamide?
The InChIKey is YJVPXVDEJJNEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Br2NO2S2/c1-9(2)13(10,11)5-3-4(7)6(8)12-5/h3H,1-2H3.
What are the key properties of 4,5-dibromo-N,N-dimethylthiophene-2-sulfonamide?
4,5-dibromo-N,N-dimethylthiophene-2-sulfonamide has a molecular weight of 349.07 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N,N-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 4134791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).