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

C15H16ClNO3S — CID 7808701

IUPAC4-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
SMILESCc1ccc(OCCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClNO3S/c1-12-2-6-14(7-3-12)20-11-10-17-21(18,19)15-8-4-13(16)5-9-15/h2-9,17H,10-11H2,1H3
InChIKeyYIRNPADPPUGYML-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.01
Rot. Bonds6

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

4-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide (PubChem CID 7808701) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
PubChem CID7808701
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name4-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
SMILESCc1ccc(OCCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClNO3S/c1-12-2-6-14(7-3-12)20-11-10-17-21(18,19)15-8-4-13(16)5-9-15/h2-9,17H,10-11H2,1H3
InChIKeyYIRNPADPPUGYML-UHFFFAOYSA-N
XLogP3.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.01
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-[(4-chlorophenyl)sulfonyl]-2-(2-methylphenoxy)acetamide
CID 975490
4-chloro-N-(2-phenoxycyclohexyl)benzenesulfonamide
CID 2912969
4-chloro-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 9393892
2-(3-Chlorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 16533239
N-[(3R)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide
CID 162649024
N-[3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide
CID 162652229
N-[(3S)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2,4-dichlorobenzenesulfonamide
CID 162653553
N-[3-amino-4-(4-cyanophenoxy)butyl]-2,4-dichlorobenzenesulfonamide
CID 162669231
4-chloro-2-fluoro-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide
CID 4787961
N-[(4-chlorophenyl)sulfonyl]-2-(4-methylphenoxy)acetamide
CID 1263080
5-ethyl-2-methoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 1811250
1-(2-chlorophenyl)-N-(2-phenoxyethyl)methanesulfonamide
CID 2225855

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide (CID 7808701) is 4-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide is Cc1ccc(OCCNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide?
The InChIKey is YIRNPADPPUGYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-12-2-6-14(7-3-12)20-11-10-17-21(18,19)15-8-4-13(16)5-9-15/h2-9,17H,10-11H2,1H3.
What are the key properties of 4-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide?
4-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 7808701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).