5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide

C10H16BrNO3S2 — CID 115755413

IUPAC5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C10H16BrNO3S2/c1-3-12(5-4-6-13)17(14,15)9-7-8(2)10(11)16-9/h7,13H,3-6H2,1-2H3
InChIKeyCEUZWVPGXNASSQ-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.21
Rot. Bonds6

About 5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide

5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide (PubChem CID 115755413) has the molecular formula C10H16BrNO3S2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide
PubChem CID115755413
Molecular FormulaC10H16BrNO3S2
Molecular Weight342.28 g/mol
Exact Mass340.98
IUPAC Name5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C10H16BrNO3S2/c1-3-12(5-4-6-13)17(14,15)9-7-8(2)10(11)16-9/h7,13H,3-6H2,1-2H3
InChIKeyCEUZWVPGXNASSQ-UHFFFAOYSA-N
XLogP2.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-cyanoethyl)-N-ethyl-4-methylthiophene-2-sulfonamide
CID 71975650
5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-2-sulfonamide
CID 115755446
5-bromo-4-[ethyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 113468643
methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 79923482
5-bromo-N,N,4-trimethylthiophene-2-sulfonamide
CID 70519707
5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide
CID 106441810
5-bromo-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylthiophene-2-sulfonamide
CID 79999013
2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 60956798
2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755429
5-bromo-4-chloro-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide
CID 80577825
5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 39456166
2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755345

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide (CID 115755413) is 5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide is CCN(CCCO)S(=O)(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is CEUZWVPGXNASSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO3S2/c1-3-12(5-4-6-13)17(14,15)9-7-8(2)10(11)16-9/h7,13H,3-6H2,1-2H3.
What are the key properties of 5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide?
5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 342.28 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 115755413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).