5-bromo-N-(3-cyclopentylpropyl)-4-methylthiophene-2-sulfonamide

C13H20BrNO2S2 — CID 114137199

IUPAC5-bromo-N-(3-cyclopentylpropyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCCC2CCCC2)sc1Br
InChIInChI=1S/C13H20BrNO2S2/c1-10-9-12(18-13(10)14)19(16,17)15-8-4-7-11-5-2-3-6-11/h9,11,15H,2-8H2,1H3
InChIKeyGQUZUHFVVRLEKI-UHFFFAOYSA-N
MW366.35 g/mol
LogP4.07
Rot. Bonds6

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

5-bromo-N-(3-cyclopentylpropyl)-4-methylthiophene-2-sulfonamide (PubChem CID 114137199) has the molecular formula C13H20BrNO2S2 and a molecular weight of 366.35 g/mol. Its IUPAC name is 5-bromo-N-(3-cyclopentylpropyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-cyclopentylpropyl)-4-methylthiophene-2-sulfonamide
PubChem CID114137199
Molecular FormulaC13H20BrNO2S2
Molecular Weight366.35 g/mol
Exact Mass365.01
IUPAC Name5-bromo-N-(3-cyclopentylpropyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCCC2CCCC2)sc1Br
InChIInChI=1S/C13H20BrNO2S2/c1-10-9-12(18-13(10)14)19(16,17)15-8-4-7-11-5-2-3-6-11/h9,11,15H,2-8H2,1H3
InChIKeyGQUZUHFVVRLEKI-UHFFFAOYSA-N
XLogP4.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide
CID 82944213
5-bromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylthiophene-2-sulfonamide
CID 79988854
5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119972955
5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide
CID 115690369
5-bromo-N-cyclopropyl-4-methylthiophene-2-sulfonamide
CID 79925933
5-bromo-4-methyl-N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
CID 112697586
5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide
CID 79934766
5-cyano-N-(3-cyclopentylpropyl)thiophene-2-sulfonamide
CID 106269784
2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012519
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79994846
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-cyclopentylpropyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(3-cyclopentylpropyl)-4-methylthiophene-2-sulfonamide (CID 114137199) is 5-bromo-N-(3-cyclopentylpropyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-cyclopentylpropyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-cyclopentylpropyl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCCCC2CCCC2)sc1Br.
What is the InChIKey of 5-bromo-N-(3-cyclopentylpropyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is GQUZUHFVVRLEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2S2/c1-10-9-12(18-13(10)14)19(16,17)15-8-4-7-11-5-2-3-6-11/h9,11,15H,2-8H2,1H3.
What are the key properties of 5-bromo-N-(3-cyclopentylpropyl)-4-methylthiophene-2-sulfonamide?
5-bromo-N-(3-cyclopentylpropyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 366.35 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-cyclopentylpropyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 114137199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).