2,5-dibromo-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-sulfonamide

C9H13Br2NO3S2 — CID 43574662

IUPAC2,5-dibromo-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-sulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C9H13Br2NO3S2/c1-6(2)12(3-4-13)17(14,15)7-5-8(10)16-9(7)11/h5-6,13H,3-4H2,1-2H3
InChIKeyJVAPIINENMONFH-UHFFFAOYSA-N
MW407.15 g/mol
LogP2.66
Rot. Bonds5

About 2,5-dibromo-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-sulfonamide

2,5-dibromo-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-sulfonamide (PubChem CID 43574662) has the molecular formula C9H13Br2NO3S2 and a molecular weight of 407.15 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-sulfonamide
PubChem CID43574662
Molecular FormulaC9H13Br2NO3S2
Molecular Weight407.15 g/mol
Exact Mass404.87
IUPAC Name2,5-dibromo-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-sulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C9H13Br2NO3S2/c1-6(2)12(3-4-13)17(14,15)7-5-8(10)16-9(7)11/h5-6,13H,3-4H2,1-2H3
InChIKeyJVAPIINENMONFH-UHFFFAOYSA-N
XLogP2.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.15
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 60956798
2-bromo-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 43574659
5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43269299
2,5-dibromo-N,N-dimethylthiophene-3-sulfonamide
CID 60652197
4-amino-2-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 43577739
N-benzyl-2,5-dibromo-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 62114424
3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 3702166
5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2,4-dimethylbenzoic acid
CID 43578675
3-amino-5-chloro-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 114378967
5-bromo-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 61042574
N-(2-hydroxyethyl)-2,3-dimethyl-5-nitro-N-propan-2-ylbenzenesulfonamide
CID 43574648
5-amino-N-(2-hydroxyethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 43577718

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-sulfonamide?
The IUPAC name of 2,5-dibromo-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-sulfonamide (CID 43574662) is 2,5-dibromo-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-sulfonamide?
The canonical SMILES for 2,5-dibromo-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-sulfonamide is CC(C)N(CCO)S(=O)(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-sulfonamide?
The InChIKey is JVAPIINENMONFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Br2NO3S2/c1-6(2)12(3-4-13)17(14,15)7-5-8(10)16-9(7)11/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 2,5-dibromo-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-sulfonamide?
2,5-dibromo-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-sulfonamide has a molecular weight of 407.15 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-sulfonamide is sourced from PubChem (CID 43574662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).