4-bromo-N-cyclohexylbenzenesulfonamide

C12H16BrNO2S — CID 789094

IUPAC4-bromo-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h6-9,11,14H,1-5H2
InChIKeyXATZMSCJHBJRTQ-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.06
Rot. Bonds3

About 4-bromo-N-cyclohexylbenzenesulfonamide

4-bromo-N-cyclohexylbenzenesulfonamide (PubChem CID 789094) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 4-bromo-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-cyclohexylbenzenesulfonamide
PubChem CID789094
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name4-bromo-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h6-9,11,14H,1-5H2
InChIKeyXATZMSCJHBJRTQ-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(3-phenylpropyl)benzenesulfonamide
CID 2165962
4-bromo-N-methylbenzene-1-sulfonamide
CID 101215
4-Bromo-N-propylbenzenesulfonamide
CID 77027
4-bromo-N-(2-phenylethyl)benzenesulfonamide
CID 795722
4-Bromo-N-isopropylbenzenesulphonamide
CID 121253
Benzenesulfonamide, p-bromo-N-ethyl-
CID 74803
N-Bicyclo[2.2.1]hept-2-yl-4-bromo-benzenesulfonamide
CID 2892422
2-Bromo-N-hexylbenzenesulfonamide
CID 16060181
4-Bromo-N-(2-diethylamino-ethyl)-benzenesulfonamide
CID 4879851
2-bromo-N-cyclopentylbenzenesulfonamide
CID 4997479
N-Cyclohexylbenzenesulfonamide
CID 232561
4-Bromo-N-2-propen-1-ylbenzenesulfonamide
CID 120388

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclohexylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-cyclohexylbenzenesulfonamide (CID 789094) is 4-bromo-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-cyclohexylbenzenesulfonamide is O=S(=O)(NC1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-cyclohexylbenzenesulfonamide?
The InChIKey is XATZMSCJHBJRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h6-9,11,14H,1-5H2.
What are the key properties of 4-bromo-N-cyclohexylbenzenesulfonamide?
4-bromo-N-cyclohexylbenzenesulfonamide has a molecular weight of 318.24 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 789094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).