3-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

C11H12FN3O2S — CID 54897317

IUPAC3-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1F
InChIInChI=1S/C11H12FN3O2S/c1-8-2-3-10(4-11(8)12)18(16,17)15-7-9-5-13-14-6-9/h2-6,15H,7H2,1H3,(H,13,14)
InChIKeyDWGQTYFORYWBSP-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.34
Rot. Bonds4

About 3-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

3-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (PubChem CID 54897317) has the molecular formula C11H12FN3O2S and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
PubChem CID54897317
Molecular FormulaC11H12FN3O2S
Molecular Weight269.30 g/mol
Exact Mass269.06
IUPAC Name3-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1F
InChIInChI=1S/C11H12FN3O2S/c1-8-2-3-10(4-11(8)12)18(16,17)15-7-9-5-13-14-6-9/h2-6,15H,7H2,1H3,(H,13,14)
InChIKeyDWGQTYFORYWBSP-UHFFFAOYSA-N
XLogP1.34
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 53622736
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CID 75449143
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CID 14041590
CID 14041590
CID 67152748
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CID 43532703
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CID 14361422
CID 14361422
CID 15932794
CID 15932794
CID 18676099
CID 18676099
CID 129736735
CID 129736735
CID 19355311
CID 19355311

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (CID 54897317) is 3-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is DWGQTYFORYWBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S/c1-8-2-3-10(4-11(8)12)18(16,17)15-7-9-5-13-14-6-9/h2-6,15H,7H2,1H3,(H,13,14).
What are the key properties of 3-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
3-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 269.30 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 54897317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).