N-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide

C17H20ClNO4S — CID 141008380

IUPACN-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H20ClNO4S/c1-22-15-8-9-16(23-2)17(12-15)24(20,21)19-10-4-6-13-5-3-7-14(18)11-13/h3,5,7-9,11-12,19H,4,6,10H2,1-2H3
InChIKeyZWYRUIVFGMFXTP-UHFFFAOYSA-N
MW369.87 g/mol
LogP3.27
Rot. Bonds8

About N-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide

N-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 141008380) has the molecular formula C17H20ClNO4S and a molecular weight of 369.87 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID141008380
Molecular FormulaC17H20ClNO4S
Molecular Weight369.87 g/mol
Exact Mass369.08
IUPAC NameN-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H20ClNO4S/c1-22-15-8-9-16(23-2)17(12-15)24(20,21)19-10-4-6-13-5-3-7-14(18)11-13/h3,5,7-9,11-12,19H,4,6,10H2,1-2H3
InChIKeyZWYRUIVFGMFXTP-UHFFFAOYSA-N
XLogP3.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 53.27
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-(3-chlorophenyl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098413
N-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274
2,5-dimethoxy-N-octylbenzenesulfonamide
CID 19681340
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 112506788
2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721113
2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide
CID 4987407
N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 120715614
N-[2-(3-chlorophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 112995875
5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide
CID 113100078
5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 25180257
4-ethoxy-3-[3-(3-methoxyphenyl)propylsulfamoyl]benzamide
CID 171138861

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide (CID 141008380) is N-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCCCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is ZWYRUIVFGMFXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO4S/c1-22-15-8-9-16(23-2)17(12-15)24(20,21)19-10-4-6-13-5-3-7-14(18)11-13/h3,5,7-9,11-12,19H,4,6,10H2,1-2H3.
What are the key properties of N-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide?
N-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 369.87 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 141008380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).