2-fluoro-4,5-dimethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide

C18H22FN3O4S — CID 35323775

IUPAC2-fluoro-4,5-dimethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)NCc2ccnc(N3CCCC3)c2)cc1OC
InChIInChI=1S/C18H22FN3O4S/c1-25-15-10-14(19)17(11-16(15)26-2)27(23,24)21-12-13-5-6-20-18(9-13)22-7-3-4-8-22/h5-6,9-11,21H,3-4,7-8,12H2,1-2H3
InChIKeyOORSDSKHSYYISU-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.32
Rot. Bonds7

About 2-fluoro-4,5-dimethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide

2-fluoro-4,5-dimethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide (PubChem CID 35323775) has the molecular formula C18H22FN3O4S and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-fluoro-4,5-dimethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4,5-dimethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
PubChem CID35323775
Molecular FormulaC18H22FN3O4S
Molecular Weight395.46 g/mol
Exact Mass395.13
IUPAC Name2-fluoro-4,5-dimethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)NCc2ccnc(N3CCCC3)c2)cc1OC
InChIInChI=1S/C18H22FN3O4S/c1-25-15-10-14(19)17(11-16(15)26-2)27(23,24)21-12-13-5-6-20-18(9-13)22-7-3-4-8-22/h5-6,9-11,21H,3-4,7-8,12H2,1-2H3
InChIKeyOORSDSKHSYYISU-UHFFFAOYSA-N
XLogP2.32
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-difluoro-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583572
2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583669
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 75420088
2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 55872466
3-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]quinoline-8-sulfonamide
CID 55873879
1,2-dimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]imidazole-4-sulfonamide
CID 47092488
5-fluoro-2-methoxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318624
2-methoxy-5-[[(2-piperidin-1-yl-4-pyridinyl)methylamino]methyl]phenol
CID 163366722
4-(difluoromethoxy)-3-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 52554684
6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
CID 55874135
4-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine
CID 18167056
4-methoxy-2,5-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 51121171

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,5-dimethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-4,5-dimethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide (CID 35323775) is 2-fluoro-4,5-dimethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4,5-dimethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-4,5-dimethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide is COc1cc(F)c(S(=O)(=O)NCc2ccnc(N3CCCC3)c2)cc1OC.
What is the InChIKey of 2-fluoro-4,5-dimethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is OORSDSKHSYYISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4S/c1-25-15-10-14(19)17(11-16(15)26-2)27(23,24)21-12-13-5-6-20-18(9-13)22-7-3-4-8-22/h5-6,9-11,21H,3-4,7-8,12H2,1-2H3.
What are the key properties of 2-fluoro-4,5-dimethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide?
2-fluoro-4,5-dimethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 395.46 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-dimethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 35323775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).