5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide

C13H18BrNO2S2 — CID 79994736

IUPAC5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
SMILESC=CCN(C1CCCC1)S(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C13H18BrNO2S2/c1-3-8-15(11-6-4-5-7-11)19(16,17)12-9-10(2)13(14)18-12/h3,9,11H,1,4-8H2,2H3
InChIKeyNCSHMZUQDCDFBN-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.94
Rot. Bonds5

About 5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide

5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide (PubChem CID 79994736) has the molecular formula C13H18BrNO2S2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
PubChem CID79994736
Molecular FormulaC13H18BrNO2S2
Molecular Weight364.33 g/mol
Exact Mass363.00
IUPAC Name5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
SMILESC=CCN(C1CCCC1)S(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C13H18BrNO2S2/c1-3-8-15(11-6-4-5-7-11)19(16,17)12-9-10(2)13(14)18-12/h3,9,11H,1,4-8H2,2H3
InChIKeyNCSHMZUQDCDFBN-UHFFFAOYSA-N
XLogP3.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide
CID 3670404
2-amino-4,6-dibromo-N-cyclopentyl-N-prop-2-enylbenzenesulfonamide
CID 61114170
ethyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]acetate
CID 79930307
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79994846
4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 116528239
N-cyclohexyl-2,3,4,5,6-pentamethyl-N-prop-2-enylbenzenesulfonamide
CID 3670403
5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide
CID 80578771
5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 23968657
3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide
CID 61115680
N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide
CID 3782584
5-bromo-N,N,4-trimethylthiophene-2-sulfonamide
CID 70519707
5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide
CID 79924452

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide (CID 79994736) is 5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide is C=CCN(C1CCCC1)S(=O)(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide?
The InChIKey is NCSHMZUQDCDFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S2/c1-3-8-15(11-6-4-5-7-11)19(16,17)12-9-10(2)13(14)18-12/h3,9,11H,1,4-8H2,2H3.
What are the key properties of 5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide?
5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide has a molecular weight of 364.33 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide is sourced from PubChem (CID 79994736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).