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

C12H18BrNO2S2 — CID 55026778

IUPAC5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCC1CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C12H18BrNO2S2/c13-11-6-7-12(17-11)18(15,16)14-9-8-10-4-2-1-3-5-10/h6-7,10,14H,1-5,8-9H2
InChIKeyVCLGLXCEIUCRTM-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.76
Rot. Bonds5

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

5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide (PubChem CID 55026778) has the molecular formula C12H18BrNO2S2 and a molecular weight of 352.32 g/mol. Its IUPAC name is 5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide
PubChem CID55026778
Molecular FormulaC12H18BrNO2S2
Molecular Weight352.32 g/mol
Exact Mass351.00
IUPAC Name5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCC1CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C12H18BrNO2S2/c13-11-6-7-12(17-11)18(15,16)14-9-8-10-4-2-1-3-5-10/h6-7,10,14H,1-5,8-9H2
InChIKeyVCLGLXCEIUCRTM-UHFFFAOYSA-N
XLogP3.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-bromothiophene-2-sulfonamide
CID 5016701
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide
CID 5240506
5-bromo-N-cyclooctylthiophene-2-sulfonamide
CID 19681116
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide
CID 15992302
5-bromo-N-cyclopentylthiophene-2-sulfonamide
CID 893383
5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride
CID 166174114
5-bromo-N-(2-bromocycloheptyl)thiophene-2-sulfonamide
CID 113395171
5-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide
CID 94479341
5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide
CID 107297938
5-cyano-N-(3-cyclopentylpropyl)thiophene-2-sulfonamide
CID 106269784
N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide
CID 39423764
5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 97052749

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide (CID 55026778) is 5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide is O=S(=O)(NCCC1CCCCC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide?
The InChIKey is VCLGLXCEIUCRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S2/c13-11-6-7-12(17-11)18(15,16)14-9-8-10-4-2-1-3-5-10/h6-7,10,14H,1-5,8-9H2.
What are the key properties of 5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide?
5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide has a molecular weight of 352.32 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 55026778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).