5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide

C12H17BrN2O2S — CID 114624790

IUPAC5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C12H17BrN2O2S/c1-8-6-10(13)11(14)7-12(8)18(16,17)15-9-4-2-3-5-9/h6-7,9,15H,2-5,14H2,1H3
InChIKeyIQGJAUIYSVOQPZ-UHFFFAOYSA-N
MW333.25 g/mol
LogP2.56
Rot. Bonds3

About 5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide

5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide (PubChem CID 114624790) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide
PubChem CID114624790
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC Name5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C12H17BrN2O2S/c1-8-6-10(13)11(14)7-12(8)18(16,17)15-9-4-2-3-5-9/h6-7,9,15H,2-5,14H2,1H3
InChIKeyIQGJAUIYSVOQPZ-UHFFFAOYSA-N
XLogP2.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 52.56
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-N-cyclooctyl-2-methylbenzenesulfonamide
CID 114624962
5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 104963333
5-amino-4-bromo-N-(1,1-dioxothian-4-yl)-2-methylbenzenesulfonamide
CID 114625209
5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114626345
5-amino-4-bromo-N-(1-ethylpiperidin-4-yl)-2-methylbenzenesulfonamide
CID 114625369
5-bromo-N-cyclohexyl-2-methylbenzenesulfonamide
CID 47113443
5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645
4,5-dibromo-1-N,2-N-dicyclohexylbenzene-1,2-disulfonamide
CID 12890971
5-amino-4-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
CID 114626150
5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 114625046
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945
2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
CID 62414526

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide (CID 114624790) is 5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide is Cc1cc(Br)c(N)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide?
The InChIKey is IQGJAUIYSVOQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c1-8-6-10(13)11(14)7-12(8)18(16,17)15-9-4-2-3-5-9/h6-7,9,15H,2-5,14H2,1H3.
What are the key properties of 5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide?
5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide has a molecular weight of 333.25 g/mol, XLogP of 2.56, 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-N-cyclopentyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 114624790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).