5-bromo-N-(2-bromocycloheptyl)thiophene-2-sulfonamide

C11H15Br2NO2S2 — CID 113395171

IUPAC5-bromo-N-(2-bromocycloheptyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCCCC1Br)c1ccc(Br)s1
InChIInChI=1S/C11H15Br2NO2S2/c12-8-4-2-1-3-5-9(8)14-18(15,16)11-7-6-10(13)17-11/h6-9,14H,1-5H2
InChIKeyDZKZMWDMOPEIGO-UHFFFAOYSA-N
MW417.19 g/mol
LogP3.89
Rot. Bonds3

About 5-bromo-N-(2-bromocycloheptyl)thiophene-2-sulfonamide

5-bromo-N-(2-bromocycloheptyl)thiophene-2-sulfonamide (PubChem CID 113395171) has the molecular formula C11H15Br2NO2S2 and a molecular weight of 417.19 g/mol. Its IUPAC name is 5-bromo-N-(2-bromocycloheptyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromocycloheptyl)thiophene-2-sulfonamide
PubChem CID113395171
Molecular FormulaC11H15Br2NO2S2
Molecular Weight417.19 g/mol
Exact Mass414.89
IUPAC Name5-bromo-N-(2-bromocycloheptyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCCCC1Br)c1ccc(Br)s1
InChIInChI=1S/C11H15Br2NO2S2/c12-8-4-2-1-3-5-9(8)14-18(15,16)11-7-6-10(13)17-11/h6-9,14H,1-5H2
InChIKeyDZKZMWDMOPEIGO-UHFFFAOYSA-N
XLogP3.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.19
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-cyclooctylthiophene-2-sulfonamide
CID 19681116
5-bromo-N-cyclopentylthiophene-2-sulfonamide
CID 893383
N-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide
CID 80662650
N-(2-bromocycloheptyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416113
5-bromo-N-(4-hydroxycyclohexyl)thiophene-2-sulfonamide
CID 43389482
5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide
CID 55026778
3-bromo-N-(2-bromocyclohexyl)thiophene-2-sulfonamide
CID 114297371
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide
CID 15992302
5-bromo-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide;hydrochloride
CID 120724757
5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride
CID 71636318
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
5-bromo-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-sulfonamide
CID 37308568

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromocycloheptyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-bromocycloheptyl)thiophene-2-sulfonamide (CID 113395171) is 5-bromo-N-(2-bromocycloheptyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-bromocycloheptyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-bromocycloheptyl)thiophene-2-sulfonamide is O=S(=O)(NC1CCCCCC1Br)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-bromocycloheptyl)thiophene-2-sulfonamide?
The InChIKey is DZKZMWDMOPEIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO2S2/c12-8-4-2-1-3-5-9(8)14-18(15,16)11-7-6-10(13)17-11/h6-9,14H,1-5H2.
What are the key properties of 5-bromo-N-(2-bromocycloheptyl)thiophene-2-sulfonamide?
5-bromo-N-(2-bromocycloheptyl)thiophene-2-sulfonamide has a molecular weight of 417.19 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromocycloheptyl)thiophene-2-sulfonamide is sourced from PubChem (CID 113395171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).