N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide

C22H26FNO3S — CID 26347569

IUPACN-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(Cc1ccc(OCC2CCC2)cc1)C1CC1
InChIInChI=1S/C22H26FNO3S/c1-16-5-8-19(23)13-22(16)28(25,26)24(20-9-10-20)14-17-6-11-21(12-7-17)27-15-18-3-2-4-18/h5-8,11-13,18,20H,2-4,9-10,14-15H2,1H3
InChIKeyVLXBQAMOMDMMLT-UHFFFAOYSA-N
MW403.52 g/mol
LogP4.67
Rot. Bonds8

About N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide

N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 26347569) has the molecular formula C22H26FNO3S and a molecular weight of 403.52 g/mol. Its IUPAC name is N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide
PubChem CID26347569
Molecular FormulaC22H26FNO3S
Molecular Weight403.52 g/mol
Exact Mass403.16
IUPAC NameN-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(Cc1ccc(OCC2CCC2)cc1)C1CC1
InChIInChI=1S/C22H26FNO3S/c1-16-5-8-19(23)13-22(16)28(25,26)24(20-9-10-20)14-17-6-11-21(12-7-17)27-15-18-3-2-4-18/h5-8,11-13,18,20H,2-4,9-10,14-15H2,1H3
InChIKeyVLXBQAMOMDMMLT-UHFFFAOYSA-N
XLogP4.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide (CID 26347569) is N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)N(Cc1ccc(OCC2CCC2)cc1)C1CC1.
What is the InChIKey of N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is VLXBQAMOMDMMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3S/c1-16-5-8-19(23)13-22(16)28(25,26)24(20-9-10-20)14-17-6-11-21(12-7-17)27-15-18-3-2-4-18/h5-8,11-13,18,20H,2-4,9-10,14-15H2,1H3.
What are the key properties of N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide?
N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 403.52 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 26347569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).