N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-fluoro-2-methylbenzenesulfonamide

C15H14ClF2NO3S — CID 113102997

IUPACN-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCOc1ccc(F)cc1Cl
InChIInChI=1S/C15H14ClF2NO3S/c1-10-8-11(17)3-5-15(10)23(20,21)19-6-7-22-14-4-2-12(18)9-13(14)16/h2-5,8-9,19H,6-7H2,1H3
InChIKeyDEIXEAMJANQOQV-UHFFFAOYSA-N
MW361.80 g/mol
LogP3.28
Rot. Bonds6

About N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-fluoro-2-methylbenzenesulfonamide

N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 113102997) has the molecular formula C15H14ClF2NO3S and a molecular weight of 361.80 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID113102997
Molecular FormulaC15H14ClF2NO3S
Molecular Weight361.80 g/mol
Exact Mass361.04
IUPAC NameN-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCOc1ccc(F)cc1Cl
InChIInChI=1S/C15H14ClF2NO3S/c1-10-8-11(17)3-5-15(10)23(20,21)19-6-7-22-14-4-2-12(18)9-13(14)16/h2-5,8-9,19H,6-7H2,1H3
InChIKeyDEIXEAMJANQOQV-UHFFFAOYSA-N
XLogP3.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 53.28
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]-2,5-dimethylbenzenesulfonamide
CID 113102991
5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide
CID 113103026
4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 35609122
2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47154916
N-(6-chlorohexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114008823
2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640
N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113099217
N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide
CID 113102910
N-[2-(2,3-dimethylphenoxy)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113100959
N-[2-(2,4-difluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 113102398
4-fluoro-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 110787563
4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663350

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-fluoro-2-methylbenzenesulfonamide (CID 113102997) is N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCCOc1ccc(F)cc1Cl.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is DEIXEAMJANQOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO3S/c1-10-8-11(17)3-5-15(10)23(20,21)19-6-7-22-14-4-2-12(18)9-13(14)16/h2-5,8-9,19H,6-7H2,1H3.
What are the key properties of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-fluoro-2-methylbenzenesulfonamide?
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 361.80 g/mol, XLogP of 3.28, 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]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 113102997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).