3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide

C16H17F2N3O2S — CID 35388850

IUPAC3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(N2CCCC2)nc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2N3O2S/c17-14-5-4-13(9-15(14)18)24(22,23)20-11-12-3-6-16(19-10-12)21-7-1-2-8-21/h3-6,9-10,20H,1-2,7-8,11H2
InChIKeyFFBHCFQGTSGMBN-UHFFFAOYSA-N
MW353.39 g/mol
LogP2.44
Rot. Bonds5

About 3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide

3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 35388850) has the molecular formula C16H17F2N3O2S and a molecular weight of 353.39 g/mol. Its IUPAC name is 3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID35388850
Molecular FormulaC16H17F2N3O2S
Molecular Weight353.39 g/mol
Exact Mass353.10
IUPAC Name3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(N2CCCC2)nc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2N3O2S/c17-14-5-4-13(9-15(14)18)24(22,23)20-11-12-3-6-16(19-10-12)21-7-1-2-8-21/h3-6,9-10,20H,1-2,7-8,11H2
InChIKeyFFBHCFQGTSGMBN-UHFFFAOYSA-N
XLogP2.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583572
3-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzene-1,3-disulfonamide
CID 55913757
3-chloro-4-cyano-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 55703524
N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylsulfamoyl]phenyl]acetamide
CID 35388894
1-(4-fluorophenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanesulfonamide
CID 55913883
2,3-dichloro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 35389010
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-sulfonamide
CID 35388805
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3,4-difluorobenzamide
CID 53149087
3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967204
3,4-dichloro-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 55735225
N-(3,4-difluorophenyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide
CID 133359177
2-chloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 55914778

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide (CID 35388850) is 3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(N2CCCC2)nc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is FFBHCFQGTSGMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2S/c17-14-5-4-13(9-15(14)18)24(22,23)20-11-12-3-6-16(19-10-12)21-7-1-2-8-21/h3-6,9-10,20H,1-2,7-8,11H2.
What are the key properties of 3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide?
3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 353.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 35388850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).