N-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide

C12H14BrCl2NO2S — CID 114297364

IUPACN-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1Br)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14BrCl2NO2S/c13-11-3-1-2-4-12(11)16-19(17,18)10-6-8(14)5-9(15)7-10/h5-7,11-12,16H,1-4H2
InChIKeyMWMKOXCCHKGQFN-UHFFFAOYSA-N
MW387.13 g/mol
LogP3.98
Rot. Bonds3

About N-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide

N-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide (PubChem CID 114297364) has the molecular formula C12H14BrCl2NO2S and a molecular weight of 387.13 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide
PubChem CID114297364
Molecular FormulaC12H14BrCl2NO2S
Molecular Weight387.13 g/mol
Exact Mass384.93
IUPAC NameN-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1Br)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14BrCl2NO2S/c13-11-3-1-2-4-12(11)16-19(17,18)10-6-8(14)5-9(15)7-10/h5-7,11-12,16H,1-4H2
InChIKeyMWMKOXCCHKGQFN-UHFFFAOYSA-N
XLogP3.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.13
LogP ≤ 53.98
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

2,5-dichloro-N-cyclohexylbenzenesulfonamide
CID 838585
N-[(1R,2R)-2-bromocyclohexyl]-4-chlorobenzenesulfonamide
CID 135011152
3-chloro-N-cyclohexyl-4-fluorobenzenesulfonamide
CID 697836
3-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide
CID 39617204
N-(4-bromocyclohexyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089749
N-(2-bromocyclohexyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089766
N-(4-bromocyclohexyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400699
N-(2-bromocyclohexyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400706
5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide
CID 110759332
2,4-dichloro-N-cyclohexylbenzenesulfonamide
CID 3810724
3,5-dichloro-N-pentylbenzenesulfonamide
CID 5005642
3,5-dichloro-N-heptylbenzenesulfonamide
CID 15066000

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide?
The IUPAC name of N-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide (CID 114297364) is N-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide is O=S(=O)(NC1CCCCC1Br)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide?
The InChIKey is MWMKOXCCHKGQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2NO2S/c13-11-3-1-2-4-12(11)16-19(17,18)10-6-8(14)5-9(15)7-10/h5-7,11-12,16H,1-4H2.
What are the key properties of N-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide?
N-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide has a molecular weight of 387.13 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 114297364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).