3-fluoro-N-(4-methoxybutan-2-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide

C15H20FN3O3S — CID 71971124

IUPAC3-fluoro-N-(4-methoxybutan-2-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1
InChIInChI=1S/C15H20FN3O3S/c1-11-9-17-19(10-11)15-5-4-13(8-14(15)16)23(20,21)18-12(2)6-7-22-3/h4-5,8-10,12,18H,6-7H2,1-3H3
InChIKeyUDEJCRBUFHZAJP-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.02
Rot. Bonds7

About 3-fluoro-N-(4-methoxybutan-2-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide

3-fluoro-N-(4-methoxybutan-2-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide (PubChem CID 71971124) has the molecular formula C15H20FN3O3S and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-fluoro-N-(4-methoxybutan-2-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(4-methoxybutan-2-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide
PubChem CID71971124
Molecular FormulaC15H20FN3O3S
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC Name3-fluoro-N-(4-methoxybutan-2-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1
InChIInChI=1S/C15H20FN3O3S/c1-11-9-17-19(10-11)15-5-4-13(8-14(15)16)23(20,21)18-12(2)6-7-22-3/h4-5,8-10,12,18H,6-7H2,1-3H3
InChIKeyUDEJCRBUFHZAJP-UHFFFAOYSA-N
XLogP2.02
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-methoxybutan-2-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(4-methoxybutan-2-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide (CID 71971124) is 3-fluoro-N-(4-methoxybutan-2-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(4-methoxybutan-2-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(4-methoxybutan-2-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide is COCCC(C)NS(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1.
What is the InChIKey of 3-fluoro-N-(4-methoxybutan-2-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide?
The InChIKey is UDEJCRBUFHZAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3S/c1-11-9-17-19(10-11)15-5-4-13(8-14(15)16)23(20,21)18-12(2)6-7-22-3/h4-5,8-10,12,18H,6-7H2,1-3H3.
What are the key properties of 3-fluoro-N-(4-methoxybutan-2-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide?
3-fluoro-N-(4-methoxybutan-2-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide has a molecular weight of 341.41 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-methoxybutan-2-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 71971124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).