3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide

C9H13Br2NO3S2 — CID 106304866

IUPAC3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCOCCBr)c1sccc1Br
InChIInChI=1S/C9H13Br2NO3S2/c10-3-6-15-5-1-4-12-17(13,14)9-8(11)2-7-16-9/h2,7,12H,1,3-6H2
InChIKeyKCCGFYWMOXSNTG-UHFFFAOYSA-N
MW407.15 g/mol
LogP2.59
Rot. Bonds8

About 3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide

3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide (PubChem CID 106304866) has the molecular formula C9H13Br2NO3S2 and a molecular weight of 407.15 g/mol. Its IUPAC name is 3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide
PubChem CID106304866
Molecular FormulaC9H13Br2NO3S2
Molecular Weight407.15 g/mol
Exact Mass404.87
IUPAC Name3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCOCCBr)c1sccc1Br
InChIInChI=1S/C9H13Br2NO3S2/c10-3-6-15-5-1-4-12-17(13,14)9-8(11)2-7-16-9/h2,7,12H,1,3-6H2
InChIKeyKCCGFYWMOXSNTG-UHFFFAOYSA-N
XLogP2.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.15
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-sulfonamide
CID 61072375
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide
CID 61456223
3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 119964647
3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide
CID 61074456
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide
CID 103858901
4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide
CID 112732422
N-[3-(2-bromoethoxy)propyl]-5-methylthiophene-2-sulfonamide
CID 106304861
N-[2-(3-aminophenoxy)ethyl]-3-bromothiophene-2-sulfonamide
CID 61458147
3-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 103834752
3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
CID 61458188
3-bromo-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 61073398

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide (CID 106304866) is 3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide is O=S(=O)(NCCCOCCBr)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide?
The InChIKey is KCCGFYWMOXSNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Br2NO3S2/c10-3-6-15-5-1-4-12-17(13,14)9-8(11)2-7-16-9/h2,7,12H,1,3-6H2.
What are the key properties of 3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide?
3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide has a molecular weight of 407.15 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106304866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).