N-(2-phenoxyethoxy)butane-1-sulfonamide

C12H19NO4S — CID 110294712

IUPACN-(2-phenoxyethoxy)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NOCCOc1ccccc1
InChIInChI=1S/C12H19NO4S/c1-2-3-11-18(14,15)13-17-10-9-16-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChIKeyUSQHKLDIGNSHEH-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.72
Rot. Bonds9

About N-(2-phenoxyethoxy)butane-1-sulfonamide

N-(2-phenoxyethoxy)butane-1-sulfonamide (PubChem CID 110294712) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is N-(2-phenoxyethoxy)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-phenoxyethoxy)butane-1-sulfonamide
PubChem CID110294712
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN-(2-phenoxyethoxy)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NOCCOc1ccccc1
InChIInChI=1S/C12H19NO4S/c1-2-3-11-18(14,15)13-17-10-9-16-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChIKeyUSQHKLDIGNSHEH-UHFFFAOYSA-N
XLogP1.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-phenoxyethoxy)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-phenoxypropyl)propane-1-sulfonamide
CID 61383933
azane;pentoxybenzene;sulfuric acid
CID 173020031
N-pentoxypentane-1-sulfonamide
CID 87372259
3-phenoxypropyl pentane-1-sulfonate
CID 143878300
N-(2-phenoxyethoxy)methanamine
CID 117126931
pentoxybenzene;undecane
CID 174778179
acetic acid;butoxybenzene
CID 162338086
3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide
CID 110294740
2-pentoxyethoxybenzene
CID 54431229
butoxybenzene;propanal
CID 174367271
butoxybenzene;methyl formate
CID 174933114
2-dodecoxyethoxybenzene
CID 67831231

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethoxy)butane-1-sulfonamide?
The IUPAC name of N-(2-phenoxyethoxy)butane-1-sulfonamide (CID 110294712) is N-(2-phenoxyethoxy)butane-1-sulfonamide.
What is the SMILES notation for N-(2-phenoxyethoxy)butane-1-sulfonamide?
The canonical SMILES for N-(2-phenoxyethoxy)butane-1-sulfonamide is CCCCS(=O)(=O)NOCCOc1ccccc1.
What is the InChIKey of N-(2-phenoxyethoxy)butane-1-sulfonamide?
The InChIKey is USQHKLDIGNSHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-2-3-11-18(14,15)13-17-10-9-16-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3.
What are the key properties of N-(2-phenoxyethoxy)butane-1-sulfonamide?
N-(2-phenoxyethoxy)butane-1-sulfonamide has a molecular weight of 273.35 g/mol, XLogP of 1.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethoxy)butane-1-sulfonamide is sourced from PubChem (CID 110294712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).