3-bromo-N-(2-methylpropoxy)thiophene-2-sulfonamide

C8H12BrNO3S2 — CID 82715135

IUPAC3-bromo-N-(2-methylpropoxy)thiophene-2-sulfonamide
SMILESCC(C)CONS(=O)(=O)c1sccc1Br
InChIInChI=1S/C8H12BrNO3S2/c1-6(2)5-13-10-15(11,12)8-7(9)3-4-14-8/h3-4,6,10H,5H2,1-2H3
InChIKeyCDSVWMFOUYMHAQ-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.38
Rot. Bonds5

About 3-bromo-N-(2-methylpropoxy)thiophene-2-sulfonamide

3-bromo-N-(2-methylpropoxy)thiophene-2-sulfonamide (PubChem CID 82715135) has the molecular formula C8H12BrNO3S2 and a molecular weight of 314.23 g/mol. Its IUPAC name is 3-bromo-N-(2-methylpropoxy)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-methylpropoxy)thiophene-2-sulfonamide
PubChem CID82715135
Molecular FormulaC8H12BrNO3S2
Molecular Weight314.23 g/mol
Exact Mass312.94
IUPAC Name3-bromo-N-(2-methylpropoxy)thiophene-2-sulfonamide
SMILESCC(C)CONS(=O)(=O)c1sccc1Br
InChIInChI=1S/C8H12BrNO3S2/c1-6(2)5-13-10-15(11,12)8-7(9)3-4-14-8/h3-4,6,10H,5H2,1-2H3
InChIKeyCDSVWMFOUYMHAQ-UHFFFAOYSA-N
XLogP2.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3-bromothiophen-2-yl)sulfonylamino] acetate
CID 58302687
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide
CID 82715356
3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 79268179
3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide
CID 103858901
3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
CID 61458188
2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide
CID 82714913
3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 61073735
3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 55136740
methyl 3-[(3-bromothiophen-2-yl)sulfonyl-(2-methylpropyl)amino]propanoate
CID 61069083
4-bromo-2-chloro-N-(2-methylpropoxy)benzenesulfonamide
CID 82714564
N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide
CID 84591422

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methylpropoxy)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(2-methylpropoxy)thiophene-2-sulfonamide (CID 82715135) is 3-bromo-N-(2-methylpropoxy)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(2-methylpropoxy)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(2-methylpropoxy)thiophene-2-sulfonamide is CC(C)CONS(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(2-methylpropoxy)thiophene-2-sulfonamide?
The InChIKey is CDSVWMFOUYMHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO3S2/c1-6(2)5-13-10-15(11,12)8-7(9)3-4-14-8/h3-4,6,10H,5H2,1-2H3.
What are the key properties of 3-bromo-N-(2-methylpropoxy)thiophene-2-sulfonamide?
3-bromo-N-(2-methylpropoxy)thiophene-2-sulfonamide has a molecular weight of 314.23 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methylpropoxy)thiophene-2-sulfonamide is sourced from PubChem (CID 82715135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).