N-ethyl-2-fluoro-4,5-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

C15H20FN3O4S — CID 47812923

IUPACN-ethyl-2-fluoro-4,5-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCCN(Cc1cnn(C)c1)S(=O)(=O)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C15H20FN3O4S/c1-5-19(10-11-8-17-18(2)9-11)24(20,21)15-7-14(23-4)13(22-3)6-12(15)16/h6-9H,5,10H2,1-4H3
InChIKeyIAPRXDONIZVUEB-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.79
Rot. Bonds7

About N-ethyl-2-fluoro-4,5-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

N-ethyl-2-fluoro-4,5-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 47812923) has the molecular formula C15H20FN3O4S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-ethyl-2-fluoro-4,5-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-4,5-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID47812923
Molecular FormulaC15H20FN3O4S
Molecular Weight357.41 g/mol
Exact Mass357.12
IUPAC NameN-ethyl-2-fluoro-4,5-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCCN(Cc1cnn(C)c1)S(=O)(=O)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C15H20FN3O4S/c1-5-19(10-11-8-17-18(2)9-11)24(20,21)15-7-14(23-4)13(22-3)6-12(15)16/h6-9H,5,10H2,1-4H3
InChIKeyIAPRXDONIZVUEB-UHFFFAOYSA-N
XLogP1.79
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-4,5-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of N-ethyl-2-fluoro-4,5-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (CID 47812923) is N-ethyl-2-fluoro-4,5-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-fluoro-4,5-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-2-fluoro-4,5-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is CCN(Cc1cnn(C)c1)S(=O)(=O)c1cc(OC)c(OC)cc1F.
What is the InChIKey of N-ethyl-2-fluoro-4,5-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is IAPRXDONIZVUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O4S/c1-5-19(10-11-8-17-18(2)9-11)24(20,21)15-7-14(23-4)13(22-3)6-12(15)16/h6-9H,5,10H2,1-4H3.
What are the key properties of N-ethyl-2-fluoro-4,5-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
N-ethyl-2-fluoro-4,5-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 357.41 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-4,5-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 47812923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).