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

C16H17ClFNO3S — CID 113102991

IUPACN-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCOc2ccc(F)cc2Cl)c1
InChIInChI=1S/C16H17ClFNO3S/c1-11-3-4-12(2)16(9-11)23(20,21)19-7-8-22-15-6-5-13(18)10-14(15)17/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyXIKVXLHLNOLTGC-UHFFFAOYSA-N
MW357.83 g/mol
LogP3.45
Rot. Bonds6

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

N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 113102991) has the molecular formula C16H17ClFNO3S and a molecular weight of 357.83 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
PubChem CID113102991
Molecular FormulaC16H17ClFNO3S
Molecular Weight357.83 g/mol
Exact Mass357.06
IUPAC NameN-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCOc2ccc(F)cc2Cl)c1
InChIInChI=1S/C16H17ClFNO3S/c1-11-3-4-12(2)16(9-11)23(20,21)19-7-8-22-15-6-5-13(18)10-14(15)17/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyXIKVXLHLNOLTGC-UHFFFAOYSA-N
XLogP3.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.83
LogP ≤ 53.45
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-(2-chloro-4-fluorophenoxy)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 113102997
N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 30867090
5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide
CID 113103026
N-[2-(2,3-dimethylphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113100965
4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113101876
2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101162
N-[2-(2,4-difluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 113102398
N-[2-(2,3-dimethylphenoxy)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113100959
2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47154916
N-[2-(4-bromophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113099742
3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113102892
2-chloro-N-[3-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-3-oxopropyl]-4-fluorobenzamide
CID 55761571

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide (CID 113102991) is N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCCOc2ccc(F)cc2Cl)c1.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is XIKVXLHLNOLTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO3S/c1-11-3-4-12(2)16(9-11)23(20,21)19-7-8-22-15-6-5-13(18)10-14(15)17/h3-6,9-10,19H,7-8H2,1-2H3.
What are the key properties of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide?
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 357.83 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113102991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).