4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

C14H15FN2O2S — CID 110724645

IUPAC4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2ccccn2)ccc1F
InChIInChI=1S/C14H15FN2O2S/c1-11-9-13(6-7-14(11)15)20(18,19)17(2)10-12-5-3-4-8-16-12/h3-9H,10H2,1-2H3
InChIKeyMBWDUIWPCSZDOF-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.35
Rot. Bonds4

About 4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 110724645) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID110724645
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2ccccn2)ccc1F
InChIInChI=1S/C14H15FN2O2S/c1-11-9-13(6-7-14(11)15)20(18,19)17(2)10-12-5-3-4-8-16-12/h3-9H,10H2,1-2H3
InChIKeyMBWDUIWPCSZDOF-UHFFFAOYSA-N
XLogP2.35
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-fluoro-N,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 115421252
3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 81259129
3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43564918
4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724675
3-bromo-4-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51889739
3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107090630
2-hydrazinyl-N-methyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide
CID 61004828
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 52746563
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 63212311
N-methyl-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-3-sulfonamide
CID 62148236
2-bromo-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 47257761
5-amino-2-chloro-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 61113797

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 110724645) is 4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)N(C)Cc2ccccn2)ccc1F.
What is the InChIKey of 4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is MBWDUIWPCSZDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-11-9-13(6-7-14(11)15)20(18,19)17(2)10-12-5-3-4-8-16-12/h3-9H,10H2,1-2H3.
What are the key properties of 4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110724645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).