5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide

C11H12BrNO2S3 — CID 79931997

IUPAC5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2cccs2)sc1Br
InChIInChI=1S/C11H12BrNO2S3/c1-8-7-10(17-11(8)12)18(14,15)13-5-4-9-3-2-6-16-9/h2-3,6-7,13H,4-5H2,1H3
InChIKeyRPEQIZAFEBZERC-UHFFFAOYSA-N
MW366.33 g/mol
LogP3.40
Rot. Bonds5

About 5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide

5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide (PubChem CID 79931997) has the molecular formula C11H12BrNO2S3 and a molecular weight of 366.33 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
PubChem CID79931997
Molecular FormulaC11H12BrNO2S3
Molecular Weight366.33 g/mol
Exact Mass364.92
IUPAC Name5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2cccs2)sc1Br
InChIInChI=1S/C11H12BrNO2S3/c1-8-7-10(17-11(8)12)18(14,15)13-5-4-9-3-2-6-16-9/h2-3,6-7,13H,4-5H2,1H3
InChIKeyRPEQIZAFEBZERC-UHFFFAOYSA-N
XLogP3.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 79994940
N-[2-(4-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-sulfonamide
CID 79987465
5-amino-4-bromo-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 114624888
5-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 103739636
4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79588588
5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119972955
3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793268
2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43257668
N-(3-amino-3-phenylpropyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 80505327
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide
CID 79987387
4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 47316710
4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793246

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide (CID 79931997) is 5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCCc2cccs2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
The InChIKey is RPEQIZAFEBZERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2S3/c1-8-7-10(17-11(8)12)18(14,15)13-5-4-9-3-2-6-16-9/h2-3,6-7,13H,4-5H2,1H3.
What are the key properties of 5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide?
5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide has a molecular weight of 366.33 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 79931997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).