N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide

C16H18ClNO4S — CID 113102633

IUPACN-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C16H18ClNO4S/c1-12-11-13(17)3-8-16(12)22-10-9-18-23(19,20)15-6-4-14(21-2)5-7-15/h3-8,11,18H,9-10H2,1-2H3
InChIKeyFWJPOXIOEXQMHX-UHFFFAOYSA-N
MW355.84 g/mol
LogP3.01
Rot. Bonds7

About N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide

N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 113102633) has the molecular formula C16H18ClNO4S and a molecular weight of 355.84 g/mol. Its IUPAC name is N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
PubChem CID113102633
Molecular FormulaC16H18ClNO4S
Molecular Weight355.84 g/mol
Exact Mass355.06
IUPAC NameN-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C16H18ClNO4S/c1-12-11-13(17)3-8-16(12)22-10-9-18-23(19,20)15-6-4-14(21-2)5-7-15/h3-8,11,18H,9-10H2,1-2H3
InChIKeyFWJPOXIOEXQMHX-UHFFFAOYSA-N
XLogP3.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]benzenesulfonamide
CID 113102632
3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
CID 5018847
N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099468
1-[2-(2,4-dimethylphenoxy)ethyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]urea
CID 36962696
N-[3-[2-[4-(4-chloro-2-methylphenoxy)butanoyl]hydrazinyl]-3-oxopropyl]-4-ethoxybenzenesulfonamide
CID 55348657
N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 110788857
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 112976506
N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 113101853
N-(4-chloro-2-methylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113059951
3-chloro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101307
4-tert-butyl-N-[2-(2,4-dimethylphenoxy)ethyl]benzenesulfonamide
CID 113100923

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide (CID 113102633) is N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2C)cc1.
What is the InChIKey of N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is FWJPOXIOEXQMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4S/c1-12-11-13(17)3-8-16(12)22-10-9-18-23(19,20)15-6-4-14(21-2)5-7-15/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide?
N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 355.84 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 113102633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).