4-fluoro-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide

C15H20FN3O2S — CID 47062350

IUPAC4-fluoro-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N(Cc1cnn(C)c1)C(C)C
InChIInChI=1S/C15H20FN3O2S/c1-11(2)19(10-13-8-17-18(4)9-13)22(20,21)15-6-5-14(16)7-12(15)3/h5-9,11H,10H2,1-4H3
InChIKeyYURXRKNDVOCTOD-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.47
Rot. Bonds5

About 4-fluoro-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide

4-fluoro-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 47062350) has the molecular formula C15H20FN3O2S and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID47062350
Molecular FormulaC15H20FN3O2S
Molecular Weight325.41 g/mol
Exact Mass325.13
IUPAC Name4-fluoro-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N(Cc1cnn(C)c1)C(C)C
InChIInChI=1S/C15H20FN3O2S/c1-11(2)19(10-13-8-17-18(4)9-13)22(20,21)15-6-5-14(16)7-12(15)3/h5-9,11H,10H2,1-4H3
InChIKeyYURXRKNDVOCTOD-UHFFFAOYSA-N
XLogP2.47
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide (CID 47062350) is 4-fluoro-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)N(Cc1cnn(C)c1)C(C)C.
What is the InChIKey of 4-fluoro-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is YURXRKNDVOCTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2S/c1-11(2)19(10-13-8-17-18(4)9-13)22(20,21)15-6-5-14(16)7-12(15)3/h5-9,11H,10H2,1-4H3.
What are the key properties of 4-fluoro-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
4-fluoro-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 325.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 47062350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).