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

C11H15Br2NO2S2 — CID 113271024

IUPAC3-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1(CBr)CCCCC1)c1sccc1Br
InChIInChI=1S/C11H15Br2NO2S2/c12-8-11(5-2-1-3-6-11)14-18(15,16)10-9(13)4-7-17-10/h4,7,14H,1-3,5-6,8H2
InChIKeyDJXGWXYCEZIANI-UHFFFAOYSA-N
MW417.19 g/mol
LogP3.89
Rot. Bonds4

About 3-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide

3-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide (PubChem CID 113271024) has the molecular formula C11H15Br2NO2S2 and a molecular weight of 417.19 g/mol. Its IUPAC name is 3-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide
PubChem CID113271024
Molecular FormulaC11H15Br2NO2S2
Molecular Weight417.19 g/mol
Exact Mass414.89
IUPAC Name3-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1(CBr)CCCCC1)c1sccc1Br
InChIInChI=1S/C11H15Br2NO2S2/c12-8-11(5-2-1-3-6-11)14-18(15,16)10-9(13)4-7-17-10/h4,7,14H,1-3,5-6,8H2
InChIKeyDJXGWXYCEZIANI-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

3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 103969987
5-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide
CID 114293728
5-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-sulfonamide
CID 114297084
1-[(3-bromothiophen-2-yl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81163629
3-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-carboxamide
CID 114311405
N-[1-(bromomethyl)cyclopentyl]benzenesulfonamide
CID 114297176
3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide
CID 61074456
5-bromo-N-[1-(bromomethyl)cyclopentyl]-4-methylthiophene-2-sulfonamide
CID 114297165
N-[1-(bromomethyl)cyclohexyl]-2,5-dichlorothiophene-3-sulfonamide
CID 114293762
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 103838056
8-(3-bromothiophen-2-yl)sulfonyl-8-azaspiro[4.5]decane
CID 63162262

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide (CID 113271024) is 3-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide is O=S(=O)(NC1(CBr)CCCCC1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide?
The InChIKey is DJXGWXYCEZIANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO2S2/c12-8-11(5-2-1-3-6-11)14-18(15,16)10-9(13)4-7-17-10/h4,7,14H,1-3,5-6,8H2.
What are the key properties of 3-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide?
3-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 3-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113271024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).