5-(diethylsulfamoyl)-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide

C19H27FN4O3S — CID 60540392

IUPAC5-(diethylsulfamoyl)-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(Cc2cnn(C)c2)C(C)C)c1
InChIInChI=1S/C19H27FN4O3S/c1-6-23(7-2)28(26,27)16-8-9-18(20)17(10-16)19(25)24(14(3)4)13-15-11-21-22(5)12-15/h8-12,14H,6-7,13H2,1-5H3
InChIKeyBFDDFHVMIIQYDS-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.64
Rot. Bonds8

About 5-(diethylsulfamoyl)-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide

5-(diethylsulfamoyl)-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 60540392) has the molecular formula C19H27FN4O3S and a molecular weight of 410.52 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID60540392
Molecular FormulaC19H27FN4O3S
Molecular Weight410.52 g/mol
Exact Mass410.18
IUPAC Name5-(diethylsulfamoyl)-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(Cc2cnn(C)c2)C(C)C)c1
InChIInChI=1S/C19H27FN4O3S/c1-6-23(7-2)28(26,27)16-8-9-18(20)17(10-16)19(25)24(14(3)4)13-15-11-21-22(5)12-15/h8-12,14H,6-7,13H2,1-5H3
InChIKeyBFDDFHVMIIQYDS-UHFFFAOYSA-N
XLogP2.64
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide (CID 60540392) is 5-(diethylsulfamoyl)-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(Cc2cnn(C)c2)C(C)C)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is BFDDFHVMIIQYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O3S/c1-6-23(7-2)28(26,27)16-8-9-18(20)17(10-16)19(25)24(14(3)4)13-15-11-21-22(5)12-15/h8-12,14H,6-7,13H2,1-5H3.
What are the key properties of 5-(diethylsulfamoyl)-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide?
5-(diethylsulfamoyl)-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 410.52 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 60540392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).