5-bromo-N-cyclooctylthiophene-2-sulfonamide

C12H18BrNO2S2 — CID 19681116

IUPAC5-bromo-N-cyclooctylthiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCCCCC1)c1ccc(Br)s1
InChIInChI=1S/C12H18BrNO2S2/c13-11-8-9-12(17-11)18(15,16)14-10-6-4-2-1-3-5-7-10/h8-10,14H,1-7H2
InChIKeyIXYZYWUPFCMOMW-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.90
Rot. Bonds3

About 5-bromo-N-cyclooctylthiophene-2-sulfonamide

5-bromo-N-cyclooctylthiophene-2-sulfonamide (PubChem CID 19681116) has the molecular formula C12H18BrNO2S2 and a molecular weight of 352.32 g/mol. Its IUPAC name is 5-bromo-N-cyclooctylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-cyclooctylthiophene-2-sulfonamide
PubChem CID19681116
Molecular FormulaC12H18BrNO2S2
Molecular Weight352.32 g/mol
Exact Mass351.00
IUPAC Name5-bromo-N-cyclooctylthiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCCCCC1)c1ccc(Br)s1
InChIInChI=1S/C12H18BrNO2S2/c13-11-8-9-12(17-11)18(15,16)14-10-6-4-2-1-3-5-7-10/h8-10,14H,1-7H2
InChIKeyIXYZYWUPFCMOMW-UHFFFAOYSA-N
XLogP3.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-cyclopentylthiophene-2-sulfonamide
CID 893383
5-bromo-N-(4-hydroxycyclohexyl)thiophene-2-sulfonamide
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5-bromo-N-(2-bromocycloheptyl)thiophene-2-sulfonamide
CID 113395171
5-bromo-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-sulfonamide
CID 37308568
N-cyclopentyl-5-methylthiophene-2-sulfonamide
CID 39792230
5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride
CID 71636318
5-(cyclooctylsulfamoyl)thiophene-2-carboxylic acid
CID 61026859
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide
CID 15992302
5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide
CID 55026778
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide
CID 5240506
5-bromo-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]thiophene-2-sulfonamide
CID 94064800
5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 55029070

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclooctylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-cyclooctylthiophene-2-sulfonamide (CID 19681116) is 5-bromo-N-cyclooctylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-cyclooctylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-cyclooctylthiophene-2-sulfonamide is O=S(=O)(NC1CCCCCCC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-cyclooctylthiophene-2-sulfonamide?
The InChIKey is IXYZYWUPFCMOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S2/c13-11-8-9-12(17-11)18(15,16)14-10-6-4-2-1-3-5-7-10/h8-10,14H,1-7H2.
What are the key properties of 5-bromo-N-cyclooctylthiophene-2-sulfonamide?
5-bromo-N-cyclooctylthiophene-2-sulfonamide has a molecular weight of 352.32 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclooctylthiophene-2-sulfonamide is sourced from PubChem (CID 19681116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).