5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-2-sulfonamide

C9H14BrNO3S2 — CID 115755446

IUPAC5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-2-sulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H14BrNO3S2/c1-2-11(6-3-7-12)16(13,14)9-5-4-8(10)15-9/h4-5,12H,2-3,6-7H2,1H3
InChIKeyUTGQWMUXAPPRDD-UHFFFAOYSA-N
MW328.25 g/mol
LogP1.90
Rot. Bonds6

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

5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-2-sulfonamide (PubChem CID 115755446) has the molecular formula C9H14BrNO3S2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-2-sulfonamide
PubChem CID115755446
Molecular FormulaC9H14BrNO3S2
Molecular Weight328.25 g/mol
Exact Mass326.96
IUPAC Name5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-2-sulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H14BrNO3S2/c1-2-11(6-3-7-12)16(13,14)9-5-4-8(10)15-9/h4-5,12H,2-3,6-7H2,1H3
InChIKeyUTGQWMUXAPPRDD-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 39456166
5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 79386615
5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide
CID 115755413
2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 40751541
3-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-2-methylpropanethioamide
CID 54987817
2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-tert-butylacetamide
CID 40680174
5-(2-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 54879826
2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755429
5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 106267459
5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 54937883
4-[(5-bromothiophen-2-yl)sulfonyl-methylamino]butanoic acid
CID 43090805
(5-bromothiophen-2-yl)sulfonyl-methylcarbamic acid
CID 67189352

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-2-sulfonamide (CID 115755446) is 5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-2-sulfonamide is CCN(CCCO)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-2-sulfonamide?
The InChIKey is UTGQWMUXAPPRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO3S2/c1-2-11(6-3-7-12)16(13,14)9-5-4-8(10)15-9/h4-5,12H,2-3,6-7H2,1H3.
What are the key properties of 5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-2-sulfonamide?
5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-2-sulfonamide has a molecular weight of 328.25 g/mol, XLogP of 1.90, 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)thiophene-2-sulfonamide is sourced from PubChem (CID 115755446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).