N-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide

C15H17FN2O2S — CID 103299471

IUPACN-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide
SMILESCCN(Cc1ccccc1C)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C15H17FN2O2S/c1-3-18(11-13-8-5-4-7-12(13)2)21(19,20)15-14(16)9-6-10-17-15/h4-10H,3,11H2,1-2H3
InChIKeyMUVRVXYACCIQQS-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.74
Rot. Bonds5

About N-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide

N-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide (PubChem CID 103299471) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide
PubChem CID103299471
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide
SMILESCCN(Cc1ccccc1C)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C15H17FN2O2S/c1-3-18(11-13-8-5-4-7-12(13)2)21(19,20)15-14(16)9-6-10-17-15/h4-10H,3,11H2,1-2H3
InChIKeyMUVRVXYACCIQQS-UHFFFAOYSA-N
XLogP2.74
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide
CID 103299462
3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide
CID 103299973
N-ethyl-3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299977
3-fluoro-N,N-dipentylpyridine-2-sulfonamide
CID 103299737
N-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 47267553
3-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103301059
N,N-bis(2-cyanoethyl)-3-fluoropyridine-2-sulfonamide
CID 103299443
3-amino-N-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 43587315
3-fluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide
CID 103299752
2-chloro-N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61052666
2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide
CID 103299629
N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303638

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide?
The IUPAC name of N-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide (CID 103299471) is N-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide?
The canonical SMILES for N-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide is CCN(Cc1ccccc1C)S(=O)(=O)c1ncccc1F.
What is the InChIKey of N-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide?
The InChIKey is MUVRVXYACCIQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-3-18(11-13-8-5-4-7-12(13)2)21(19,20)15-14(16)9-6-10-17-15/h4-10H,3,11H2,1-2H3.
What are the key properties of N-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide?
N-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 103299471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).