N-[2-[(4-chlorophenyl)methoxy]ethyl]-4-propylbenzenesulfonamide

C18H22ClNO3S — CID 139969449

IUPACN-[2-[(4-chlorophenyl)methoxy]ethyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCOCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H22ClNO3S/c1-2-3-15-6-10-18(11-7-15)24(21,22)20-12-13-23-14-16-4-8-17(19)9-5-16/h4-11,20H,2-3,12-14H2,1H3
InChIKeyBUXIHMRIXFCEMU-UHFFFAOYSA-N
MW367.90 g/mol
LogP3.79
Rot. Bonds9

About N-[2-[(4-chlorophenyl)methoxy]ethyl]-4-propylbenzenesulfonamide

N-[2-[(4-chlorophenyl)methoxy]ethyl]-4-propylbenzenesulfonamide (PubChem CID 139969449) has the molecular formula C18H22ClNO3S and a molecular weight of 367.90 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methoxy]ethyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methoxy]ethyl]-4-propylbenzenesulfonamide
PubChem CID139969449
Molecular FormulaC18H22ClNO3S
Molecular Weight367.90 g/mol
Exact Mass367.10
IUPAC NameN-[2-[(4-chlorophenyl)methoxy]ethyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCOCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H22ClNO3S/c1-2-3-15-6-10-18(11-7-15)24(21,22)20-12-13-23-14-16-4-8-17(19)9-5-16/h4-11,20H,2-3,12-14H2,1H3
InChIKeyBUXIHMRIXFCEMU-UHFFFAOYSA-N
XLogP3.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 53.79
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-bromoethoxy)ethyl]-4-propylbenzenesulfonamide
CID 113271420
4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
CID 139969428
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
N-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide
CID 106308170
4-chloro-N-[2-[4-[2-(ethylamino)ethoxy]phenyl]ethyl]benzenesulfonamide
CID 19388056
N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
N-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-4-methylbenzenesulfonamide
CID 139969429
4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698761
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide
CID 61380567
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methoxy]ethyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methoxy]ethyl]-4-propylbenzenesulfonamide (CID 139969449) is N-[2-[(4-chlorophenyl)methoxy]ethyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methoxy]ethyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methoxy]ethyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCCOCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methoxy]ethyl]-4-propylbenzenesulfonamide?
The InChIKey is BUXIHMRIXFCEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3S/c1-2-3-15-6-10-18(11-7-15)24(21,22)20-12-13-23-14-16-4-8-17(19)9-5-16/h4-11,20H,2-3,12-14H2,1H3.
What are the key properties of N-[2-[(4-chlorophenyl)methoxy]ethyl]-4-propylbenzenesulfonamide?
N-[2-[(4-chlorophenyl)methoxy]ethyl]-4-propylbenzenesulfonamide has a molecular weight of 367.90 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methoxy]ethyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 139969449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).