N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide

C19H24ClNO3S — CID 113103120

IUPACN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide
SMILESCc1cc(OCCNS(=O)(=O)CCCc2ccccc2)cc(C)c1Cl
InChIInChI=1S/C19H24ClNO3S/c1-15-13-18(14-16(2)19(15)20)24-11-10-21-25(22,23)12-6-9-17-7-4-3-5-8-17/h3-5,7-8,13-14,21H,6,9-12H2,1-2H3
InChIKeyZDNXNPUULBRQSI-UHFFFAOYSA-N
MW381.93 g/mol
LogP3.89
Rot. Bonds9

About N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide

N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide (PubChem CID 113103120) has the molecular formula C19H24ClNO3S and a molecular weight of 381.93 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide
PubChem CID113103120
Molecular FormulaC19H24ClNO3S
Molecular Weight381.93 g/mol
Exact Mass381.12
IUPAC NameN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide
SMILESCc1cc(OCCNS(=O)(=O)CCCc2ccccc2)cc(C)c1Cl
InChIInChI=1S/C19H24ClNO3S/c1-15-13-18(14-16(2)19(15)20)24-11-10-21-25(22,23)12-6-9-17-7-4-3-5-8-17/h3-5,7-8,13-14,21H,6,9-12H2,1-2H3
InChIKeyZDNXNPUULBRQSI-UHFFFAOYSA-N
XLogP3.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 53.89
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-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide
CID 113099122
2-phenyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]ethanesulfonamide
CID 113101297
N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide
CID 110288272
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropanamide
CID 113103062
N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)ethanamine
CID 39394396
3-chloro-N-(3-phenylpropyl)propane-1-sulfonamide
CID 43654108
N-benzyl-3-(4-chloro-3,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 2182131
N-(3-phenoxypropyl)propane-1-sulfonamide
CID 61383933
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 62584689
4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide
CID 55017062
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113103104
2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]ethanesulfonamide
CID 30867214

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide (CID 113103120) is N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide is Cc1cc(OCCNS(=O)(=O)CCCc2ccccc2)cc(C)c1Cl.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is ZDNXNPUULBRQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO3S/c1-15-13-18(14-16(2)19(15)20)24-11-10-21-25(22,23)12-6-9-17-7-4-3-5-8-17/h3-5,7-8,13-14,21H,6,9-12H2,1-2H3.
What are the key properties of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide?
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 381.93 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 113103120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).