4-ethoxy-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-methylbenzenesulfonamide

C19H22FNO3S — CID 42269742

IUPAC4-ethoxy-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC2(c3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C19H22FNO3S/c1-3-24-18-9-8-17(12-14(18)2)25(22,23)21-13-19(10-11-19)15-4-6-16(20)7-5-15/h4-9,12,21H,3,10-11,13H2,1-2H3
InChIKeyNPZCJBZEJLJYQR-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.54
Rot. Bonds7

About 4-ethoxy-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-methylbenzenesulfonamide

4-ethoxy-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-methylbenzenesulfonamide (PubChem CID 42269742) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is 4-ethoxy-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-methylbenzenesulfonamide
PubChem CID42269742
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name4-ethoxy-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC2(c3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C19H22FNO3S/c1-3-24-18-9-8-17(12-14(18)2)25(22,23)21-13-19(10-11-19)15-4-6-16(20)7-5-15/h4-9,12,21H,3,10-11,13H2,1-2H3
InChIKeyNPZCJBZEJLJYQR-UHFFFAOYSA-N
XLogP3.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-methylbenzenesulfonamide (CID 42269742) is 4-ethoxy-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCC2(c3ccc(F)cc3)CC2)cc1C.
What is the InChIKey of 4-ethoxy-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-methylbenzenesulfonamide?
The InChIKey is NPZCJBZEJLJYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-3-24-18-9-8-17(12-14(18)2)25(22,23)21-13-19(10-11-19)15-4-6-16(20)7-5-15/h4-9,12,21H,3,10-11,13H2,1-2H3.
What are the key properties of 4-ethoxy-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-methylbenzenesulfonamide?
4-ethoxy-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-methylbenzenesulfonamide has a molecular weight of 363.45 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 42269742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).