N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,4,6-trimethylbenzenesulfonamide

C19H22FNO2S — CID 42269706

IUPACN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC2(c3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C19H22FNO2S/c1-13-10-14(2)18(15(3)11-13)24(22,23)21-12-19(8-9-19)16-4-6-17(20)7-5-16/h4-7,10-11,21H,8-9,12H2,1-3H3
InChIKeyUIWHXUMXGNAQCR-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.76
Rot. Bonds5

About N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,4,6-trimethylbenzenesulfonamide

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 42269706) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID42269706
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC2(c3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C19H22FNO2S/c1-13-10-14(2)18(15(3)11-13)24(22,23)21-12-19(8-9-19)16-4-6-17(20)7-5-16/h4-7,10-11,21H,8-9,12H2,1-3H3
InChIKeyUIWHXUMXGNAQCR-UHFFFAOYSA-N
XLogP3.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,4,6-trimethylbenzenesulfonamide (CID 42269706) is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCC2(c3ccc(F)cc3)CC2)c(C)c1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is UIWHXUMXGNAQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-13-10-14(2)18(15(3)11-13)24(22,23)21-12-19(8-9-19)16-4-6-17(20)7-5-16/h4-7,10-11,21H,8-9,12H2,1-3H3.
What are the key properties of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,4,6-trimethylbenzenesulfonamide?
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 347.46 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 42269706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).