5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide

C11H18BrNO3S2 — CID 82944213

IUPAC5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide
SMILESCCCOCCCNS(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C11H18BrNO3S2/c1-3-6-16-7-4-5-13-18(14,15)10-8-9(2)11(12)17-10/h8,13H,3-7H2,1-2H3
InChIKeyBCIGINQIKJFNHN-UHFFFAOYSA-N
MW356.31 g/mol
LogP2.91
Rot. Bonds8

About 5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide

5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide (PubChem CID 82944213) has the molecular formula C11H18BrNO3S2 and a molecular weight of 356.31 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide
PubChem CID82944213
Molecular FormulaC11H18BrNO3S2
Molecular Weight356.31 g/mol
Exact Mass354.99
IUPAC Name5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide
SMILESCCCOCCCNS(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C11H18BrNO3S2/c1-3-6-16-7-4-5-13-18(14,15)10-8-9(2)11(12)17-10/h8,13H,3-7H2,1-2H3
InChIKeyBCIGINQIKJFNHN-UHFFFAOYSA-N
XLogP2.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(3-cyclopentylpropyl)-4-methylthiophene-2-sulfonamide
CID 114137199
5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119972955
5-bromo-4-methyl-N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
CID 112697586
4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82950627
5-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-sulfonamide
CID 106001823
2-amino-4,5-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949556
2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide
CID 3830031
5-bromo-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-sulfonamide
CID 79945818
5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79925847
5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 79925416
4-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 104936210
5-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 79994940

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide (CID 82944213) is 5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide is CCCOCCCNS(=O)(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide?
The InChIKey is BCIGINQIKJFNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO3S2/c1-3-6-16-7-4-5-13-18(14,15)10-8-9(2)11(12)17-10/h8,13H,3-7H2,1-2H3.
What are the key properties of 5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide?
5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide has a molecular weight of 356.31 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 82944213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).