N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide

C17H21NO3S — CID 3858812

IUPACN-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C17H21NO3S/c1-14(2)15-8-10-17(11-9-15)22(19,20)18-12-13-21-16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3
InChIKeySRQROKCHLRNJPM-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.17
Rot. Bonds7

About N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide

N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 3858812) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID3858812
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C17H21NO3S/c1-14(2)15-8-10-17(11-9-15)22(19,20)18-12-13-21-16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3
InChIKeySRQROKCHLRNJPM-UHFFFAOYSA-N
XLogP3.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide
CID 30366250
4-amino-N-[2-(4-phenylphenoxy)ethyl]benzenesulfonamide
CID 9157994
N-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide
CID 30365872
3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 8990569
N-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 110408296
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
4-methyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 26543228
4-butan-2-yl-N-[2-(2-methoxyphenoxy)ethyl]benzenesulfonamide
CID 55352634
1-[2-(diethylsulfamoylamino)ethoxy]-4-propan-2-ylbenzene
CID 87032676
4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 9158032
ethyl N-[[4-(2-phenoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 17383331
N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108572799

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide (CID 3858812) is N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NCCOc2ccccc2)cc1.
What is the InChIKey of N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is SRQROKCHLRNJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-14(2)15-8-10-17(11-9-15)22(19,20)18-12-13-21-16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3.
What are the key properties of N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide?
N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 3858812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).