5-bromo-N,N,4-trimethylthiophene-2-sulfonamide

C7H10BrNO2S2 — CID 70519707

IUPAC5-bromo-N,N,4-trimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C)sc1Br
InChIInChI=1S/C7H10BrNO2S2/c1-5-4-6(12-7(5)8)13(10,11)9(2)3/h4H,1-3H3
InChIKeyYHHFMDMQQJXONS-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.07
Rot. Bonds2

About 5-bromo-N,N,4-trimethylthiophene-2-sulfonamide

5-bromo-N,N,4-trimethylthiophene-2-sulfonamide (PubChem CID 70519707) has the molecular formula C7H10BrNO2S2 and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-bromo-N,N,4-trimethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N,N,4-trimethylthiophene-2-sulfonamide
PubChem CID70519707
Molecular FormulaC7H10BrNO2S2
Molecular Weight284.20 g/mol
Exact Mass282.93
IUPAC Name5-bromo-N,N,4-trimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C)sc1Br
InChIInChI=1S/C7H10BrNO2S2/c1-5-4-6(12-7(5)8)13(10,11)9(2)3/h4H,1-3H3
InChIKeyYHHFMDMQQJXONS-UHFFFAOYSA-N
XLogP2.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 79931524
5-bromo-4-methylthiophene-2-sulfonyl bromide
CID 130493587
5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide
CID 106441810
5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79987976
5-bromo-N,4-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 79994649
5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 112551441
5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 79995043
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79994846
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylthiophene-2-sulfonamide
CID 79988961
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N,4-dimethylthiophene-2-sulfonamide
CID 79989370
5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide
CID 115755413
5-bromo-N,4-dimethyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 79932170

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N,4-trimethylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N,N,4-trimethylthiophene-2-sulfonamide (CID 70519707) is 5-bromo-N,N,4-trimethylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N,N,4-trimethylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N,N,4-trimethylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N(C)C)sc1Br.
What is the InChIKey of 5-bromo-N,N,4-trimethylthiophene-2-sulfonamide?
The InChIKey is YHHFMDMQQJXONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO2S2/c1-5-4-6(12-7(5)8)13(10,11)9(2)3/h4H,1-3H3.
What are the key properties of 5-bromo-N,N,4-trimethylthiophene-2-sulfonamide?
5-bromo-N,N,4-trimethylthiophene-2-sulfonamide has a molecular weight of 284.20 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N,4-trimethylthiophene-2-sulfonamide is sourced from PubChem (CID 70519707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).