N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide

C13H19BrN2O2S — CID 79767508

IUPACN-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide
SMILESNc1cc(NS(=O)(=O)CC2CCCCC2)ccc1Br
InChIInChI=1S/C13H19BrN2O2S/c14-12-7-6-11(8-13(12)15)16-19(17,18)9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9,15H2
InChIKeyVTNMABYEKPKLFY-UHFFFAOYSA-N
MW347.28 g/mol
LogP3.35
Rot. Bonds4

About N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide

N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide (PubChem CID 79767508) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide
PubChem CID79767508
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC NameN-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide
SMILESNc1cc(NS(=O)(=O)CC2CCCCC2)ccc1Br
InChIInChI=1S/C13H19BrN2O2S/c14-12-7-6-11(8-13(12)15)16-19(17,18)9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9,15H2
InChIKeyVTNMABYEKPKLFY-UHFFFAOYSA-N
XLogP3.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide (CID 79767508) is N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide is Nc1cc(NS(=O)(=O)CC2CCCCC2)ccc1Br.
What is the InChIKey of N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide?
The InChIKey is VTNMABYEKPKLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c14-12-7-6-11(8-13(12)15)16-19(17,18)9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9,15H2.
What are the key properties of N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide?
N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide has a molecular weight of 347.28 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 79767508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).