4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide

C12H20N2O3S — CID 55017062

IUPAC4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)NCCOc1ccccc1
InChIInChI=1S/C12H20N2O3S/c13-8-4-5-11-18(15,16)14-9-10-17-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11,13H2
InChIKeyDEVNZFBBCPDPMQ-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.72
Rot. Bonds9

About 4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide

4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide (PubChem CID 55017062) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide
PubChem CID55017062
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)NCCOc1ccccc1
InChIInChI=1S/C12H20N2O3S/c13-8-4-5-11-18(15,16)14-9-10-17-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11,13H2
InChIKeyDEVNZFBBCPDPMQ-UHFFFAOYSA-N
XLogP0.72
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-phenoxyethylsulfamoyl)butanoic acid
CID 55012765
N-(3-phenoxypropyl)propane-1-sulfonamide
CID 61383933
N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide
CID 110288272
4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 54952610
6-amino-N-(3-phenoxypropyl)hexanamide
CID 62074464
N-benzyl-2-phenoxyethanesulfonamide
CID 11140850
4-amino-N-(4-propoxyphenyl)butane-1-sulfonamide
CID 55060020
5-(4-phenoxybutoxy)pentan-1-amine
CID 82352887
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide
CID 113103120
3-(dimethylsulfamoylamino)propoxybenzene
CID 35331180
N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide
CID 63765237
2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride
CID 126467495

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide (CID 55017062) is 4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide is NCCCCS(=O)(=O)NCCOc1ccccc1.
What is the InChIKey of 4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide?
The InChIKey is DEVNZFBBCPDPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c13-8-4-5-11-18(15,16)14-9-10-17-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11,13H2.
What are the key properties of 4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide?
4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide is sourced from PubChem (CID 55017062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).