N-(5-amino-2-bromo-4-methylphenyl)cyclohexanesulfonamide

C13H19BrN2O2S — CID 104814646

IUPACN-(5-amino-2-bromo-4-methylphenyl)cyclohexanesulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)C2CCCCC2)cc1N
InChIInChI=1S/C13H19BrN2O2S/c1-9-7-11(14)13(8-12(9)15)16-19(17,18)10-5-3-2-4-6-10/h7-8,10,16H,2-6,15H2,1H3
InChIKeyJLLIAEFVGSCQNB-UHFFFAOYSA-N
MW347.28 g/mol
LogP3.41
Rot. Bonds3

About N-(5-amino-2-bromo-4-methylphenyl)cyclohexanesulfonamide

N-(5-amino-2-bromo-4-methylphenyl)cyclohexanesulfonamide (PubChem CID 104814646) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is N-(5-amino-2-bromo-4-methylphenyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-bromo-4-methylphenyl)cyclohexanesulfonamide
PubChem CID104814646
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC NameN-(5-amino-2-bromo-4-methylphenyl)cyclohexanesulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)C2CCCCC2)cc1N
InChIInChI=1S/C13H19BrN2O2S/c1-9-7-11(14)13(8-12(9)15)16-19(17,18)10-5-3-2-4-6-10/h7-8,10,16H,2-6,15H2,1H3
InChIKeyJLLIAEFVGSCQNB-UHFFFAOYSA-N
XLogP3.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromophenyl)-1-phenylmethanesulfonamide
CID 884918
N-(4-bromo-2-methylphenyl)methanesulfonamide
CID 669156
N-(4-bromo-2-ethylphenyl)ethanesulfonamide
CID 6464405
N-(2-bromo-4-methylphenyl)methanesulfonamide
CID 706816
1-(4-aminophenyl)-N-(4-bromo-2-fluorophenyl)methanesulfonamide
CID 29776548
1-(4-aminophenyl)-N-(2-bromo-4-fluorophenyl)methanesulfonamide
CID 43119288
1-(4-aminophenyl)-N-(2-bromo-4,6-difluorophenyl)methanesulfonamide
CID 43347511
1-(2-aminophenyl)-N-(4-bromo-2-fluorophenyl)methanesulfonamide
CID 62021651
1-(2-aminophenyl)-N-(2-bromo-4,6-difluorophenyl)methanesulfonamide
CID 62021845
1-(2-aminophenyl)-N-(2-bromo-4-fluorophenyl)methanesulfonamide
CID 62022802
N-[4-bromo-2-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 64584541
N-[4-bromo-2-(trifluoromethyl)phenyl]ethanesulfonamide
CID 64584542

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)cyclohexanesulfonamide?
The IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)cyclohexanesulfonamide (CID 104814646) is N-(5-amino-2-bromo-4-methylphenyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(5-amino-2-bromo-4-methylphenyl)cyclohexanesulfonamide?
The canonical SMILES for N-(5-amino-2-bromo-4-methylphenyl)cyclohexanesulfonamide is Cc1cc(Br)c(NS(=O)(=O)C2CCCCC2)cc1N.
What is the InChIKey of N-(5-amino-2-bromo-4-methylphenyl)cyclohexanesulfonamide?
The InChIKey is JLLIAEFVGSCQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-9-7-11(14)13(8-12(9)15)16-19(17,18)10-5-3-2-4-6-10/h7-8,10,16H,2-6,15H2,1H3.
What are the key properties of N-(5-amino-2-bromo-4-methylphenyl)cyclohexanesulfonamide?
N-(5-amino-2-bromo-4-methylphenyl)cyclohexanesulfonamide has a molecular weight of 347.28 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-bromo-4-methylphenyl)cyclohexanesulfonamide is sourced from PubChem (CID 104814646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).