5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide

C13H19BrN2O2S — CID 114625046

IUPAC5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)N(C)C1CCCC1
InChIInChI=1S/C13H19BrN2O2S/c1-9-7-11(14)12(15)8-13(9)19(17,18)16(2)10-5-3-4-6-10/h7-8,10H,3-6,15H2,1-2H3
InChIKeyXVZGKCNLYUDAQV-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.90
Rot. Bonds3

About 5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide

5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide (PubChem CID 114625046) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
PubChem CID114625046
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)N(C)C1CCCC1
InChIInChI=1S/C13H19BrN2O2S/c1-9-7-11(14)12(15)8-13(9)19(17,18)16(2)10-5-3-4-6-10/h7-8,10H,3-6,15H2,1-2H3
InChIKeyXVZGKCNLYUDAQV-UHFFFAOYSA-N
XLogP2.90
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-bromo-N-cyclohexyl-N,2-dimethylbenzenesulfonamide
CID 114624845
5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methylbenzenesulfonamide
CID 114625120
2-amino-5-bromo-N-cyclohexyl-N-methylbenzenesulfonamide
CID 54888604
4-amino-2-bromo-N-cyclohexyl-N-methylbenzenesulfonamide
CID 43255875
5-amino-4-bromo-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 116529919
2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
CID 43266857
1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
CID 114625870
5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide
CID 114624790
5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide
CID 114624962
4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965599
2-amino-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266885
5-amino-4-bromo-N,2-dimethyl-N-pentan-3-ylbenzenesulfonamide
CID 114625158

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide (CID 114625046) is 5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide is Cc1cc(Br)c(N)cc1S(=O)(=O)N(C)C1CCCC1.
What is the InChIKey of 5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide?
The InChIKey is XVZGKCNLYUDAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-9-7-11(14)12(15)8-13(9)19(17,18)16(2)10-5-3-4-6-10/h7-8,10H,3-6,15H2,1-2H3.
What are the key properties of 5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide?
5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide has a molecular weight of 347.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 114625046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).