N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide

C16H18FNO3S — CID 30867090

IUPACN-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCOc2ccc(F)cc2)c1
InChIInChI=1S/C16H18FNO3S/c1-12-3-4-13(2)16(11-12)22(19,20)18-9-10-21-15-7-5-14(17)6-8-15/h3-8,11,18H,9-10H2,1-2H3
InChIKeyFHGMSMUFOSVAOY-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.80
Rot. Bonds6

About N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide

N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 30867090) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
PubChem CID30867090
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCOc2ccc(F)cc2)c1
InChIInChI=1S/C16H18FNO3S/c1-12-3-4-13(2)16(11-12)22(19,20)18-9-10-21-15-7-5-14(17)6-8-15/h3-8,11,18H,9-10H2,1-2H3
InChIKeyFHGMSMUFOSVAOY-UHFFFAOYSA-N
XLogP2.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.80
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-bromophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113099742
N-[2-(4-fluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 30365742
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113102991
2,5-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide
CID 113101603
2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101162
N-[2-(4-fluorophenoxy)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 100563271
4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 35609122
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
CID 110758295
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30867085
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 8893350

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide (CID 30867090) is N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCCOc2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is FHGMSMUFOSVAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-12-3-4-13(2)16(11-12)22(19,20)18-9-10-21-15-7-5-14(17)6-8-15/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide?
N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 30867090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).