5-ethylthiophene-2-sulfonyl bromide

C6H7BrO2S2 — CID 119092797

IUPAC5-ethylthiophene-2-sulfonyl bromide
SMILESCCc1ccc(S(=O)(=O)Br)s1
InChIInChI=1S/C6H7BrO2S2/c1-2-5-3-4-6(10-5)11(7,8)9/h3-4H,2H2,1H3
InChIKeyINZDNNGDYNFRSL-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.39
Rot. Bonds2

About 5-ethylthiophene-2-sulfonyl bromide

5-ethylthiophene-2-sulfonyl bromide (PubChem CID 119092797) has the molecular formula C6H7BrO2S2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 5-ethylthiophene-2-sulfonyl bromide.

Molecular Properties

Compound Name5-ethylthiophene-2-sulfonyl bromide
PubChem CID119092797
Molecular FormulaC6H7BrO2S2
Molecular Weight255.16 g/mol
Exact Mass253.91
IUPAC Name5-ethylthiophene-2-sulfonyl bromide
SMILESCCc1ccc(S(=O)(=O)Br)s1
InChIInChI=1S/C6H7BrO2S2/c1-2-5-3-4-6(10-5)11(7,8)9/h3-4H,2H2,1H3
InChIKeyINZDNNGDYNFRSL-UHFFFAOYSA-N
XLogP2.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Phenylsulfonyl)thiophene
CID 284324
3-(Phenylsulfonyl)thiophene
CID 519297
2-Thiophenethiol, 5-methyl-
CID 138087
2,4-Thiophenedisulfonamide, 5-methyl-
CID 600438
Nsc2734
CID 220260
5-Ethylthiophene-2-sulfonyl chloride
CID 12216231
(1E)-2-(thiophen-2-yl)ethene-1-sulfonyl fluoride
CID 137698803
5-Ethylthiophene-2-thiol
CID 12292863
5-Methylthiophene-2-sulfonyl chloride
CID 12400112
5-(Phenylsulfonyl)-2-thiophenesulfonyl chloride
CID 580877
5-Methylthiophene-2-sulfonamide
CID 600930
4-(Benzenesulfonyl)thiophene-2-sulfonyl chloride
CID 625574

Frequently Asked Questions

What is the IUPAC name of 5-ethylthiophene-2-sulfonyl bromide?
The IUPAC name of 5-ethylthiophene-2-sulfonyl bromide (CID 119092797) is 5-ethylthiophene-2-sulfonyl bromide.
What is the SMILES notation for 5-ethylthiophene-2-sulfonyl bromide?
The canonical SMILES for 5-ethylthiophene-2-sulfonyl bromide is CCc1ccc(S(=O)(=O)Br)s1.
What is the InChIKey of 5-ethylthiophene-2-sulfonyl bromide?
The InChIKey is INZDNNGDYNFRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrO2S2/c1-2-5-3-4-6(10-5)11(7,8)9/h3-4H,2H2,1H3.
What are the key properties of 5-ethylthiophene-2-sulfonyl bromide?
5-ethylthiophene-2-sulfonyl bromide has a molecular weight of 255.16 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylthiophene-2-sulfonyl bromide is sourced from PubChem (CID 119092797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).