2,5-dibromo-N-propylthiophene-3-sulfonamide

C7H9Br2NO2S2 — CID 43212966

IUPAC2,5-dibromo-N-propylthiophene-3-sulfonamide
SMILESCCCNS(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C7H9Br2NO2S2/c1-2-3-10-14(11,12)5-4-6(8)13-7(5)9/h4,10H,2-3H2,1H3
InChIKeyTYQDDRKCNBUIJJ-UHFFFAOYSA-N
MW363.10 g/mol
LogP2.96
Rot. Bonds4

About 2,5-dibromo-N-propylthiophene-3-sulfonamide

2,5-dibromo-N-propylthiophene-3-sulfonamide (PubChem CID 43212966) has the molecular formula C7H9Br2NO2S2 and a molecular weight of 363.10 g/mol. Its IUPAC name is 2,5-dibromo-N-propylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-propylthiophene-3-sulfonamide
PubChem CID43212966
Molecular FormulaC7H9Br2NO2S2
Molecular Weight363.10 g/mol
Exact Mass360.84
IUPAC Name2,5-dibromo-N-propylthiophene-3-sulfonamide
SMILESCCCNS(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C7H9Br2NO2S2/c1-2-3-10-14(11,12)5-4-6(8)13-7(5)9/h4,10H,2-3H2,1H3
InChIKeyTYQDDRKCNBUIJJ-UHFFFAOYSA-N
XLogP2.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.10
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid
CID 43173191
2,5-dibromo-N-(2-ethylbutyl)thiophene-3-sulfonamide
CID 115613434
2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide
CID 106843930
methyl 3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoate
CID 60652067
2,5-dibromo-N-(2-hydroxy-2-methylbutyl)thiophene-3-sulfonamide
CID 65113447
5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride
CID 120716056
methyl 6-[(2,5-dibromothiophen-3-yl)sulfonylamino]hexanoate
CID 43405597
2,5-dibromo-N-[3-(cyclopropylamino)propyl]thiophene-3-sulfonamide
CID 43598645
2,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 65231462
5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82683979
methyl 5-bromo-4-(pentylsulfamoyl)thiophene-2-carboxylate
CID 37476569
2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide
CID 63629400

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-propylthiophene-3-sulfonamide?
The IUPAC name of 2,5-dibromo-N-propylthiophene-3-sulfonamide (CID 43212966) is 2,5-dibromo-N-propylthiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dibromo-N-propylthiophene-3-sulfonamide?
The canonical SMILES for 2,5-dibromo-N-propylthiophene-3-sulfonamide is CCCNS(=O)(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-propylthiophene-3-sulfonamide?
The InChIKey is TYQDDRKCNBUIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Br2NO2S2/c1-2-3-10-14(11,12)5-4-6(8)13-7(5)9/h4,10H,2-3H2,1H3.
What are the key properties of 2,5-dibromo-N-propylthiophene-3-sulfonamide?
2,5-dibromo-N-propylthiophene-3-sulfonamide has a molecular weight of 363.10 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-propylthiophene-3-sulfonamide is sourced from PubChem (CID 43212966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).