N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide

C13H16FN3O2S — CID 35520852

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCCn1nccc1CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3O2S/c1-3-17-12(8-9-15-17)10-16(2)20(18,19)13-6-4-11(14)5-7-13/h4-9H,3,10H2,1-2H3
InChIKeyVZSCBSMQGGJBTB-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.86
Rot. Bonds5

About N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide

N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 35520852) has the molecular formula C13H16FN3O2S and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
PubChem CID35520852
Molecular FormulaC13H16FN3O2S
Molecular Weight297.36 g/mol
Exact Mass297.09
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCCn1nccc1CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3O2S/c1-3-17-12(8-9-15-17)10-16(2)20(18,19)13-6-4-11(14)5-7-13/h4-9H,3,10H2,1-2H3
InChIKeyVZSCBSMQGGJBTB-UHFFFAOYSA-N
XLogP1.86
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide (CID 35520852) is N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide is CCn1nccc1CN(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is VZSCBSMQGGJBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S/c1-3-17-12(8-9-15-17)10-16(2)20(18,19)13-6-4-11(14)5-7-13/h4-9H,3,10H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 297.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 35520852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).