N-[4-(4-chlorophenoxy)butyl]-4-methoxybenzenesulfonamide

C17H20ClNO4S — CID 8932841

IUPACN-[4-(4-chlorophenoxy)butyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO4S/c1-22-15-8-10-17(11-9-15)24(20,21)19-12-2-3-13-23-16-6-4-14(18)5-7-16/h4-11,19H,2-3,12-13H2,1H3
InChIKeyNWGKWHHINBJTLZ-UHFFFAOYSA-N
MW369.87 g/mol
LogP3.49
Rot. Bonds9

About N-[4-(4-chlorophenoxy)butyl]-4-methoxybenzenesulfonamide

N-[4-(4-chlorophenoxy)butyl]-4-methoxybenzenesulfonamide (PubChem CID 8932841) has the molecular formula C17H20ClNO4S and a molecular weight of 369.87 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)butyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)butyl]-4-methoxybenzenesulfonamide
PubChem CID8932841
Molecular FormulaC17H20ClNO4S
Molecular Weight369.87 g/mol
Exact Mass369.08
IUPAC NameN-[4-(4-chlorophenoxy)butyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO4S/c1-22-15-8-10-17(11-9-15)24(20,21)19-12-2-3-13-23-16-6-4-14(18)5-7-16/h4-11,19H,2-3,12-13H2,1H3
InChIKeyNWGKWHHINBJTLZ-UHFFFAOYSA-N
XLogP3.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 53.49
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)butyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[4-(4-chlorophenoxy)butyl]-4-methoxybenzenesulfonamide (CID 8932841) is N-[4-(4-chlorophenoxy)butyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)butyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)butyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCCCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenoxy)butyl]-4-methoxybenzenesulfonamide?
The InChIKey is NWGKWHHINBJTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO4S/c1-22-15-8-10-17(11-9-15)24(20,21)19-12-2-3-13-23-16-6-4-14(18)5-7-16/h4-11,19H,2-3,12-13H2,1H3.
What are the key properties of N-[4-(4-chlorophenoxy)butyl]-4-methoxybenzenesulfonamide?
N-[4-(4-chlorophenoxy)butyl]-4-methoxybenzenesulfonamide has a molecular weight of 369.87 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)butyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 8932841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).