N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide

C14H18FN3O2S — CID 22205003

IUPACN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccn(Cc2ccccc2F)n1
InChIInChI=1S/C14H18FN3O2S/c1-2-3-10-21(19,20)17-14-8-9-18(16-14)11-12-6-4-5-7-13(12)15/h4-9H,2-3,10-11H2,1H3,(H,16,17)
InChIKeyTXKLOYNVMWGRDI-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.61
Rot. Bonds7

About N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide

N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide (PubChem CID 22205003) has the molecular formula C14H18FN3O2S and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide
PubChem CID22205003
Molecular FormulaC14H18FN3O2S
Molecular Weight311.38 g/mol
Exact Mass311.11
IUPAC NameN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccn(Cc2ccccc2F)n1
InChIInChI=1S/C14H18FN3O2S/c1-2-3-10-21(19,20)17-14-8-9-18(16-14)11-12-6-4-5-7-13(12)15/h4-9H,2-3,10-11H2,1H3,(H,16,17)
InChIKeyTXKLOYNVMWGRDI-UHFFFAOYSA-N
XLogP2.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide (CID 22205003) is N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccn(Cc2ccccc2F)n1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide?
The InChIKey is TXKLOYNVMWGRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2S/c1-2-3-10-21(19,20)17-14-8-9-18(16-14)11-12-6-4-5-7-13(12)15/h4-9H,2-3,10-11H2,1H3,(H,16,17).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide?
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide has a molecular weight of 311.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide is sourced from PubChem (CID 22205003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).