N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide

C14H20BrNO2S — CID 114297356

IUPACN-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCCCC2Br)c1
InChIInChI=1S/C14H20BrNO2S/c1-10-7-8-11(2)14(9-10)19(17,18)16-13-6-4-3-5-12(13)15/h7-9,12-13,16H,3-6H2,1-2H3
InChIKeyVAQALKVMNANSDO-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.29
Rot. Bonds3

About N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide

N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 114297356) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide
PubChem CID114297356
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC NameN-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCCCC2Br)c1
InChIInChI=1S/C14H20BrNO2S/c1-10-7-8-11(2)14(9-10)19(17,18)16-13-6-4-3-5-12(13)15/h7-9,12-13,16H,3-6H2,1-2H3
InChIKeyVAQALKVMNANSDO-UHFFFAOYSA-N
XLogP3.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 55064031
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119986461
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide
CID 114297346
N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2,5-dimethylbenzenesulfonamide
CID 35569450
2,5-dibromo-N-(2-bromocyclopentyl)-4-methylbenzenesulfonamide
CID 81326896
N-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide
CID 102638654
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide
CID 104953272
N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 122561460
N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide
CID 106367713
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 107213448
N-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114297377

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide (CID 114297356) is N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NC2CCCCC2Br)c1.
What is the InChIKey of N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is VAQALKVMNANSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-10-7-8-11(2)14(9-10)19(17,18)16-13-6-4-3-5-12(13)15/h7-9,12-13,16H,3-6H2,1-2H3.
What are the key properties of N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide?
N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 346.29 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 114297356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).