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

C14H21BrN2O2S — CID 114625120

IUPAC5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methylbenzenesulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)c1cc(N)c(Br)cc1C
InChIInChI=1S/C14H21BrN2O2S/c1-3-17(11-6-4-5-7-11)20(18,19)14-9-13(16)12(15)8-10(14)2/h8-9,11H,3-7,16H2,1-2H3
InChIKeyRNKBQYIVLQKWRG-UHFFFAOYSA-N
MW361.31 g/mol
LogP3.29
Rot. Bonds4

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

5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methylbenzenesulfonamide (PubChem CID 114625120) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is 5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methylbenzenesulfonamide
PubChem CID114625120
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC Name5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methylbenzenesulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)c1cc(N)c(Br)cc1C
InChIInChI=1S/C14H21BrN2O2S/c1-3-17(11-6-4-5-7-11)20(18,19)14-9-13(16)12(15)8-10(14)2/h8-9,11H,3-7,16H2,1-2H3
InChIKeyRNKBQYIVLQKWRG-UHFFFAOYSA-N
XLogP3.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 53.29
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-cyclopentyl-N-ethyl-2-methoxybenzenesulfonamide
CID 81396830
5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 114625046
5-amino-4-bromo-N-cyclohexyl-N,2-dimethylbenzenesulfonamide
CID 114624845
3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 62955123
6-bromo-N-cyclopentyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 48944539
3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide
CID 114378564
2-bromo-N-cyclohexyl-N-ethyl-5-methylsulfonylbenzenesulfonamide
CID 60568415
3-amino-N-cyclopentyl-N-ethyl-5-methylbenzenesulfonamide
CID 43540763
3-bromo-N-cyclohexyl-N-ethyl-2,4,6-trimethylbenzenesulfonamide
CID 91670159
5-amino-4-bromo-N,2-dimethyl-N-pentan-3-ylbenzenesulfonamide
CID 114625158
4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43107717
5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide
CID 114624790

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methylbenzenesulfonamide (CID 114625120) is 5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methylbenzenesulfonamide is CCN(C1CCCC1)S(=O)(=O)c1cc(N)c(Br)cc1C.
What is the InChIKey of 5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methylbenzenesulfonamide?
The InChIKey is RNKBQYIVLQKWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c1-3-17(11-6-4-5-7-11)20(18,19)14-9-13(16)12(15)8-10(14)2/h8-9,11H,3-7,16H2,1-2H3.
What are the key properties of 5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methylbenzenesulfonamide?
5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methylbenzenesulfonamide has a molecular weight of 361.31 g/mol, XLogP of 3.29, 4 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-ethyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 114625120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).