N-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide

C13H18Br2N2O2S — CID 81327839

IUPACN-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NC2CCCC2CN)cc1Br
InChIInChI=1S/C13H18Br2N2O2S/c1-8-5-11(15)13(6-10(8)14)20(18,19)17-12-4-2-3-9(12)7-16/h5-6,9,12,17H,2-4,7,16H2,1H3
InChIKeyRTVNIBXZLUVRDJ-UHFFFAOYSA-N
MW426.17 g/mol
LogP2.93
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide

N-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide (PubChem CID 81327839) has the molecular formula C13H18Br2N2O2S and a molecular weight of 426.17 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide
PubChem CID81327839
Molecular FormulaC13H18Br2N2O2S
Molecular Weight426.17 g/mol
Exact Mass423.95
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NC2CCCC2CN)cc1Br
InChIInChI=1S/C13H18Br2N2O2S/c1-8-5-11(15)13(6-10(8)14)20(18,19)17-12-4-2-3-9(12)7-16/h5-6,9,12,17H,2-4,7,16H2,1H3
InChIKeyRTVNIBXZLUVRDJ-UHFFFAOYSA-N
XLogP2.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.17
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide (CID 81327839) is N-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)NC2CCCC2CN)cc1Br.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide?
The InChIKey is RTVNIBXZLUVRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O2S/c1-8-5-11(15)13(6-10(8)14)20(18,19)17-12-4-2-3-9(12)7-16/h5-6,9,12,17H,2-4,7,16H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide?
N-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide has a molecular weight of 426.17 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide is sourced from PubChem (CID 81327839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).