3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide

C16H17Cl2NO4S — CID 113102892

IUPAC3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2cc(C)ccc2Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO4S/c1-11-3-5-13(17)16(9-11)23-8-7-19-24(20,21)12-4-6-15(22-2)14(18)10-12/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeySETLOUBSYDAHBX-UHFFFAOYSA-N
MW390.29 g/mol
LogP3.67
Rot. Bonds7

About 3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide

3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 113102892) has the molecular formula C16H17Cl2NO4S and a molecular weight of 390.29 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
PubChem CID113102892
Molecular FormulaC16H17Cl2NO4S
Molecular Weight390.29 g/mol
Exact Mass389.03
IUPAC Name3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2cc(C)ccc2Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO4S/c1-11-3-5-13(17)16(9-11)23-8-7-19-24(20,21)12-4-6-15(22-2)14(18)10-12/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeySETLOUBSYDAHBX-UHFFFAOYSA-N
XLogP3.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 53.67
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

N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 113101853
N-[2-(2,5-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100856
3-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzenesulfonamide
CID 62498134
3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chloro-4-methylphenyl)propanamide
CID 86884406
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 27245832
4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101166
3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 110758135
methyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate
CID 100558556
4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide
CID 9157900

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide (CID 113102892) is 3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCOc2cc(C)ccc2Cl)cc1Cl.
What is the InChIKey of 3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is SETLOUBSYDAHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO4S/c1-11-3-5-13(17)16(9-11)23-8-7-19-24(20,21)12-4-6-15(22-2)14(18)10-12/h3-6,9-10,19H,7-8H2,1-2H3.
What are the key properties of 3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide?
3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 390.29 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 113102892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).