N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-3-methyl-1-propylpyrazole-4-sulfonamide

C19H26FN3O3S — CID 46971798

IUPACN-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-3-methyl-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC2(c3ccccc3F)CCOCC2)c(C)n1
InChIInChI=1S/C19H26FN3O3S/c1-3-10-23-13-18(15(2)22-23)27(24,25)21-14-19(8-11-26-12-9-19)16-6-4-5-7-17(16)20/h4-7,13,21H,3,8-12,14H2,1-2H3
InChIKeyNVZIKWXCPMAZBR-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.77
Rot. Bonds7

About N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-3-methyl-1-propylpyrazole-4-sulfonamide

N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-3-methyl-1-propylpyrazole-4-sulfonamide (PubChem CID 46971798) has the molecular formula C19H26FN3O3S and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-3-methyl-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-3-methyl-1-propylpyrazole-4-sulfonamide
PubChem CID46971798
Molecular FormulaC19H26FN3O3S
Molecular Weight395.50 g/mol
Exact Mass395.17
IUPAC NameN-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-3-methyl-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC2(c3ccccc3F)CCOCC2)c(C)n1
InChIInChI=1S/C19H26FN3O3S/c1-3-10-23-13-18(15(2)22-23)27(24,25)21-14-19(8-11-26-12-9-19)16-6-4-5-7-17(16)20/h4-7,13,21H,3,8-12,14H2,1-2H3
InChIKeyNVZIKWXCPMAZBR-UHFFFAOYSA-N
XLogP2.77
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-3-methyl-1-propylpyrazole-4-sulfonamide?
The IUPAC name of N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-3-methyl-1-propylpyrazole-4-sulfonamide (CID 46971798) is N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-3-methyl-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-3-methyl-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-3-methyl-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCC2(c3ccccc3F)CCOCC2)c(C)n1.
What is the InChIKey of N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-3-methyl-1-propylpyrazole-4-sulfonamide?
The InChIKey is NVZIKWXCPMAZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3S/c1-3-10-23-13-18(15(2)22-23)27(24,25)21-14-19(8-11-26-12-9-19)16-6-4-5-7-17(16)20/h4-7,13,21H,3,8-12,14H2,1-2H3.
What are the key properties of N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-3-methyl-1-propylpyrazole-4-sulfonamide?
N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-3-methyl-1-propylpyrazole-4-sulfonamide has a molecular weight of 395.50 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]-3-methyl-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 46971798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).