2-fluoro-4-[4-(6-methyl-2-pyridinyl)thiophen-3-yl]benzenesulfonamide

C16H13FN2O2S2 — CID 139972097

IUPAC2-fluoro-4-[4-(6-methyl-2-pyridinyl)thiophen-3-yl]benzenesulfonamide
SMILESCc1cccc(-c2cscc2-c2ccc(S(N)(=O)=O)c(F)c2)n1
InChIInChI=1S/C16H13FN2O2S2/c1-10-3-2-4-15(19-10)13-9-22-8-12(13)11-5-6-16(14(17)7-11)23(18,20)21/h2-9H,1H3,(H2,18,20,21)
InChIKeyWOENVQPVRZCQKB-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.57
Rot. Bonds3

About 2-fluoro-4-[4-(6-methyl-2-pyridinyl)thiophen-3-yl]benzenesulfonamide

2-fluoro-4-[4-(6-methyl-2-pyridinyl)thiophen-3-yl]benzenesulfonamide (PubChem CID 139972097) has the molecular formula C16H13FN2O2S2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-fluoro-4-[4-(6-methyl-2-pyridinyl)thiophen-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-[4-(6-methyl-2-pyridinyl)thiophen-3-yl]benzenesulfonamide
PubChem CID139972097
Molecular FormulaC16H13FN2O2S2
Molecular Weight348.42 g/mol
Exact Mass348.04
IUPAC Name2-fluoro-4-[4-(6-methyl-2-pyridinyl)thiophen-3-yl]benzenesulfonamide
SMILESCc1cccc(-c2cscc2-c2ccc(S(N)(=O)=O)c(F)c2)n1
InChIInChI=1S/C16H13FN2O2S2/c1-10-3-2-4-15(19-10)13-9-22-8-12(13)11-5-6-16(14(17)7-11)23(18,20)21/h2-9H,1H3,(H2,18,20,21)
InChIKeyWOENVQPVRZCQKB-UHFFFAOYSA-N
XLogP3.57
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-[4-(4-methylphenyl)thiophen-3-yl]benzenesulfonamide
CID 139972035
4-[4-(4-chlorophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide
CID 139972120
4-[4-(3-cyanophenyl)thiophen-3-yl]-2-fluorobenzenesulfonamide
CID 139972086
2-methyl-6-(4-methylthiophen-3-yl)pyridine
CID 58416818
4-(4-cyclohexylthiophen-3-yl)-2-fluorobenzenesulfonamide
CID 139972080
4-[5-(difluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
CID 22745916
3-(3,5-difluorophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene
CID 18183335
3-(4-bromophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene
CID 18183344
2-(3,4-difluorophenyl)-6-methylpyridine
CID 67475001
3-(3-fluoro-4-methylsulfonylphenyl)-4-[3-methyl-4-(trifluoromethoxy)phenyl]thiophene
CID 18183374
4-(3-bromo-4-fluorophenyl)-N,N-dimethyl-3-(6-methyl-2-pyridinyl)pyrazole-1-sulfonamide
CID 69350901
3-(4-bromo-3-methylphenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)thiophene
CID 22747373

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(6-methyl-2-pyridinyl)thiophen-3-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-4-[4-(6-methyl-2-pyridinyl)thiophen-3-yl]benzenesulfonamide (CID 139972097) is 2-fluoro-4-[4-(6-methyl-2-pyridinyl)thiophen-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-[4-(6-methyl-2-pyridinyl)thiophen-3-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-[4-(6-methyl-2-pyridinyl)thiophen-3-yl]benzenesulfonamide is Cc1cccc(-c2cscc2-c2ccc(S(N)(=O)=O)c(F)c2)n1.
What is the InChIKey of 2-fluoro-4-[4-(6-methyl-2-pyridinyl)thiophen-3-yl]benzenesulfonamide?
The InChIKey is WOENVQPVRZCQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S2/c1-10-3-2-4-15(19-10)13-9-22-8-12(13)11-5-6-16(14(17)7-11)23(18,20)21/h2-9H,1H3,(H2,18,20,21).
What are the key properties of 2-fluoro-4-[4-(6-methyl-2-pyridinyl)thiophen-3-yl]benzenesulfonamide?
2-fluoro-4-[4-(6-methyl-2-pyridinyl)thiophen-3-yl]benzenesulfonamide has a molecular weight of 348.42 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(6-methyl-2-pyridinyl)thiophen-3-yl]benzenesulfonamide is sourced from PubChem (CID 139972097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).