5-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide

C11H15Br2NO2S2 — CID 114293728

IUPAC5-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1(CBr)CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C11H15Br2NO2S2/c12-8-11(6-2-1-3-7-11)14-18(15,16)10-5-4-9(13)17-10/h4-5,14H,1-3,6-8H2
InChIKeyBJAZZUSJSKEWDV-UHFFFAOYSA-N
MW417.19 g/mol
LogP3.89
Rot. Bonds4

About 5-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide

5-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide (PubChem CID 114293728) has the molecular formula C11H15Br2NO2S2 and a molecular weight of 417.19 g/mol. Its IUPAC name is 5-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide
PubChem CID114293728
Molecular FormulaC11H15Br2NO2S2
Molecular Weight417.19 g/mol
Exact Mass414.89
IUPAC Name5-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1(CBr)CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C11H15Br2NO2S2/c12-8-11(6-2-1-3-7-11)14-18(15,16)10-5-4-9(13)17-10/h4-5,14H,1-3,6-8H2
InChIKeyBJAZZUSJSKEWDV-UHFFFAOYSA-N
XLogP3.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-[1-(bromomethyl)cyclopentyl]thiophene-2-sulfonamide
CID 114297084
3-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide
CID 113271024
5-bromo-N-[1-(bromomethyl)cyclopentyl]-4-methylthiophene-2-sulfonamide
CID 114297165
N-[1-(bromomethyl)cyclopentyl]benzenesulfonamide
CID 114297176
N-[1-(bromomethyl)cyclohexyl]-2,5-dichlorothiophene-3-sulfonamide
CID 114293762
5-bromo-N-cyclooctylthiophene-2-sulfonamide
CID 19681116
N-[1-(hydroxymethyl)cyclopentyl]-5-methylthiophene-2-sulfonamide
CID 55082164
5-bromothiophene-2-sulfonohydrazide
CID 23464136
N-[1-(bromomethyl)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
CID 114293734
N-[1-(bromomethyl)cyclohexyl]-4-fluoro-2-methylbenzenesulfonamide
CID 114293763
5-bromo-N-cyclopentylthiophene-2-sulfonamide
CID 893383
N-[1-(chloromethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide
CID 65031136

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide (CID 114293728) is 5-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide is O=S(=O)(NC1(CBr)CCCCC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide?
The InChIKey is BJAZZUSJSKEWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO2S2/c12-8-11(6-2-1-3-7-11)14-18(15,16)10-5-4-9(13)17-10/h4-5,14H,1-3,6-8H2.
What are the key properties of 5-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide?
5-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide has a molecular weight of 417.19 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide is sourced from PubChem (CID 114293728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).