5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide

C13H19BrN2O2S — CID 114626345

IUPAC5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)NC1CCC(C)C1
InChIInChI=1S/C13H19BrN2O2S/c1-8-3-4-10(5-8)16-19(17,18)13-7-12(15)11(14)6-9(13)2/h6-8,10,16H,3-5,15H2,1-2H3
InChIKeyUYWXUEGBGJWGPJ-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.81
Rot. Bonds3

About 5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide

5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide (PubChem CID 114626345) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
PubChem CID114626345
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)NC1CCC(C)C1
InChIInChI=1S/C13H19BrN2O2S/c1-8-3-4-10(5-8)16-19(17,18)13-7-12(15)11(14)6-9(13)2/h6-8,10,16H,3-5,15H2,1-2H3
InChIKeyUYWXUEGBGJWGPJ-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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

5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 104963333
5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide
CID 114624790
5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide
CID 114624962
5-amino-4-bromo-N-(1,1-dioxothian-4-yl)-2-methylbenzenesulfonamide
CID 114625209
5-amino-2,4-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542830
5-amino-4-bromo-N-(1-ethylpiperidin-4-yl)-2-methylbenzenesulfonamide
CID 114625369
3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542903
3-amino-4-fluoro-5-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542872
2-bromo-3-methyl-5-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551902
5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60660580
4-amino-2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542865
4-bromo-3-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543645

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide (CID 114626345) is 5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide is Cc1cc(Br)c(N)cc1S(=O)(=O)NC1CCC(C)C1.
What is the InChIKey of 5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide?
The InChIKey is UYWXUEGBGJWGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-8-3-4-10(5-8)16-19(17,18)13-7-12(15)11(14)6-9(13)2/h6-8,10,16H,3-5,15H2,1-2H3.
What are the key properties of 5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide?
5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide has a molecular weight of 347.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114626345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).