4-bromo-N-hexan-2-ylbenzenesulfonamide

C12H18BrNO2S — CID 55050164

IUPAC4-bromo-N-hexan-2-ylbenzenesulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO2S/c1-3-4-5-10(2)14-17(15,16)12-8-6-11(13)7-9-12/h6-10,14H,3-5H2,1-2H3
InChIKeyGVJNKVQFDKZWNX-UHFFFAOYSA-N
MW320.25 g/mol
LogP3.31
Rot. Bonds6

About 4-bromo-N-hexan-2-ylbenzenesulfonamide

4-bromo-N-hexan-2-ylbenzenesulfonamide (PubChem CID 55050164) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is 4-bromo-N-hexan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-hexan-2-ylbenzenesulfonamide
PubChem CID55050164
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC Name4-bromo-N-hexan-2-ylbenzenesulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO2S/c1-3-4-5-10(2)14-17(15,16)12-8-6-11(13)7-9-12/h6-10,14H,3-5H2,1-2H3
InChIKeyGVJNKVQFDKZWNX-UHFFFAOYSA-N
XLogP3.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide
CID 2289585
4-(ethylamino)-N-hexan-2-ylbenzenesulfonamide
CID 62200099
6-[(4-bromophenyl)sulfonylamino]-2-methylheptanoic acid
CID 65284826
4-bromo-N-(4-ethylsulfanylbutan-2-yl)benzenesulfonamide
CID 115662743
4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide
CID 116528564
4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide
CID 62199697
4-amino-N-octan-2-ylbenzenesulfonamide
CID 61476612
4-(heptan-2-ylsulfamoyl)benzoic acid
CID 43420676
4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide
CID 61476963
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-butylpropanamide
CID 40579947
5-(hexan-2-ylsulfamoyl)-2-methylbenzoic acid
CID 62199105
N-(5-bromopentan-2-yl)-4-methylbenzenesulfonamide
CID 114294982

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-hexan-2-ylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-hexan-2-ylbenzenesulfonamide (CID 55050164) is 4-bromo-N-hexan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-hexan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-hexan-2-ylbenzenesulfonamide is CCCCC(C)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-hexan-2-ylbenzenesulfonamide?
The InChIKey is GVJNKVQFDKZWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-3-4-5-10(2)14-17(15,16)12-8-6-11(13)7-9-12/h6-10,14H,3-5H2,1-2H3.
What are the key properties of 4-bromo-N-hexan-2-ylbenzenesulfonamide?
4-bromo-N-hexan-2-ylbenzenesulfonamide has a molecular weight of 320.25 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-hexan-2-ylbenzenesulfonamide is sourced from PubChem (CID 55050164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).