2-fluoro-4,5-dimethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide

C15H17FN2O4S — CID 35312001

IUPAC2-fluoro-4,5-dimethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)N[C@@H](C)c2cccnc2)cc1OC
InChIInChI=1S/C15H17FN2O4S/c1-10(11-5-4-6-17-9-11)18-23(19,20)15-8-14(22-3)13(21-2)7-12(15)16/h4-10,18H,1-3H3/t10-/m0/s1
InChIKeyTZGITIUIXPNIAX-JTQLQIEISA-N
MW340.38 g/mol
LogP2.28
Rot. Bonds6

About 2-fluoro-4,5-dimethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide

2-fluoro-4,5-dimethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide (PubChem CID 35312001) has the molecular formula C15H17FN2O4S and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-fluoro-4,5-dimethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4,5-dimethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
PubChem CID35312001
Molecular FormulaC15H17FN2O4S
Molecular Weight340.38 g/mol
Exact Mass340.09
IUPAC Name2-fluoro-4,5-dimethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)N[C@@H](C)c2cccnc2)cc1OC
InChIInChI=1S/C15H17FN2O4S/c1-10(11-5-4-6-17-9-11)18-23(19,20)15-8-14(22-3)13(21-2)7-12(15)16/h4-10,18H,1-3H3/t10-/m0/s1
InChIKeyTZGITIUIXPNIAX-JTQLQIEISA-N
XLogP2.28
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,5-trifluoro-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 95310179
2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 71954745
2,3,5,6-tetrafluoro-4-methoxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 18194304
2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111106
methyl 3-methyl-4-(1-pyridin-3-ylethylsulfamoyl)benzoate
CID 49454216
2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 106021137
2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673104
5-bromo-2-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673071
3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline
CID 43380580
3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 81258843
2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide
CID 79588957
2-(1-pyridin-3-ylethylsulfamoyl)benzenecarbothioamide
CID 43523803

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,5-dimethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-4,5-dimethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide (CID 35312001) is 2-fluoro-4,5-dimethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4,5-dimethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-4,5-dimethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide is COc1cc(F)c(S(=O)(=O)N[C@@H](C)c2cccnc2)cc1OC.
What is the InChIKey of 2-fluoro-4,5-dimethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide?
The InChIKey is TZGITIUIXPNIAX-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17FN2O4S/c1-10(11-5-4-6-17-9-11)18-23(19,20)15-8-14(22-3)13(21-2)7-12(15)16/h4-10,18H,1-3H3/t10-/m0/s1.
What are the key properties of 2-fluoro-4,5-dimethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide?
2-fluoro-4,5-dimethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide has a molecular weight of 340.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-dimethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 35312001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).