2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide

C15H24N2O3S — CID 63825119

IUPAC2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)NCCOC2CCCC2)cc1C
InChIInChI=1S/C15H24N2O3S/c1-11-9-14(16)15(10-12(11)2)21(18,19)17-7-8-20-13-5-3-4-6-13/h9-10,13,17H,3-8,16H2,1-2H3
InChIKeyVNWDKJYLUDMOGC-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.12
Rot. Bonds6

About 2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide

2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide (PubChem CID 63825119) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide
PubChem CID63825119
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)NCCOC2CCCC2)cc1C
InChIInChI=1S/C15H24N2O3S/c1-11-9-14(16)15(10-12(11)2)21(18,19)17-7-8-20-13-5-3-4-6-13/h9-10,13,17H,3-8,16H2,1-2H3
InChIKeyVNWDKJYLUDMOGC-UHFFFAOYSA-N
XLogP2.12
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
CID 63824236
2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide
CID 29054263
5-(aminomethyl)-N-(2-cyclohexyloxyethyl)-2-methylfuran-3-sulfonamide
CID 106062887
2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide
CID 63825126
5-amino-N-(2-cyclopentyloxyethyl)-2,3-difluorobenzenesulfonamide
CID 65022454
2-bromo-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
CID 61059078
2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide
CID 43153258
5-amino-N-(2-cyclohexyloxyethyl)-2-fluorobenzenesulfonamide
CID 63823533
4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 63824064
2-amino-N-(2-cyclopentyloxyethyl)pyrimidine-5-sulfonamide
CID 55260708
2-amino-4,5-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949556
2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233857

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide (CID 63825119) is 2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide is Cc1cc(N)c(S(=O)(=O)NCCOC2CCCC2)cc1C.
What is the InChIKey of 2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide?
The InChIKey is VNWDKJYLUDMOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-9-14(16)15(10-12(11)2)21(18,19)17-7-8-20-13-5-3-4-6-13/h9-10,13,17H,3-8,16H2,1-2H3.
What are the key properties of 2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide?
2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 63825119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).