N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide

C18H22FNO3S — CID 90623072

IUPACN-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC(OC)c2cccc(F)c2)cc1
InChIInChI=1S/C18H22FNO3S/c1-3-5-14-8-10-17(11-9-14)24(21,22)20-13-18(23-2)15-6-4-7-16(19)12-15/h4,6-12,18,20H,3,5,13H2,1-2H3
InChIKeyPWVOUEJZKBRXOZ-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.44
Rot. Bonds8

About N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide

N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide (PubChem CID 90623072) has the molecular formula C18H22FNO3S and a molecular weight of 351.44 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide
PubChem CID90623072
Molecular FormulaC18H22FNO3S
Molecular Weight351.44 g/mol
Exact Mass351.13
IUPAC NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC(OC)c2cccc(F)c2)cc1
InChIInChI=1S/C18H22FNO3S/c1-3-5-14-8-10-17(11-9-14)24(21,22)20-13-18(23-2)15-6-4-7-16(19)12-15/h4,6-12,18,20H,3,5,13H2,1-2H3
InChIKeyPWVOUEJZKBRXOZ-UHFFFAOYSA-N
XLogP3.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide
CID 73168435
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide
CID 90623048
1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide
CID 90623062
N-[2-(furan-2-yl)-2-methoxyethyl]-4-propylbenzenesulfonamide
CID 121145620
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
CID 90623112
5-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
CID 73168447
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 47006075
(E)-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-phenylethenesulfonamide
CID 73168430
N-(2-ethylbutyl)-4-propylbenzenesulfonamide
CID 115613302
N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylpropanamide
CID 90622906
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 90623489

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide (CID 90623072) is N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCC(OC)c2cccc(F)c2)cc1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide?
The InChIKey is PWVOUEJZKBRXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3S/c1-3-5-14-8-10-17(11-9-14)24(21,22)20-13-18(23-2)15-6-4-7-16(19)12-15/h4,6-12,18,20H,3,5,13H2,1-2H3.
What are the key properties of N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide?
N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide has a molecular weight of 351.44 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 90623072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).