4-[(2R)-1-fluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide

C20H28FN3O4S — CID 66883107

IUPAC4-[(2R)-1-fluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
SMILESCCCNCCOc1ccc(NS(=O)(=O)c2ccc([C@@H](C)CF)cc2)c(OC)n1
InChIInChI=1S/C20H28FN3O4S/c1-4-11-22-12-13-28-19-10-9-18(20(23-19)27-3)24-29(25,26)17-7-5-16(6-8-17)15(2)14-21/h5-10,15,22,24H,4,11-14H2,1-3H3/t15-/m0/s1
InChIKeyFVTXKTONYQKHLF-HNNXBMFYSA-N
MW425.53 g/mol
LogP3.34
Rot. Bonds12

About 4-[(2R)-1-fluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide

4-[(2R)-1-fluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide (PubChem CID 66883107) has the molecular formula C20H28FN3O4S and a molecular weight of 425.53 g/mol. Its IUPAC name is 4-[(2R)-1-fluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2R)-1-fluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
PubChem CID66883107
Molecular FormulaC20H28FN3O4S
Molecular Weight425.53 g/mol
Exact Mass425.18
IUPAC Name4-[(2R)-1-fluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
SMILESCCCNCCOc1ccc(NS(=O)(=O)c2ccc([C@@H](C)CF)cc2)c(OC)n1
InChIInChI=1S/C20H28FN3O4S/c1-4-11-22-12-13-28-19-10-9-18(20(23-19)27-3)24-29(25,26)17-7-5-16(6-8-17)15(2)14-21/h5-10,15,22,24H,4,11-14H2,1-3H3/t15-/m0/s1
InChIKeyFVTXKTONYQKHLF-HNNXBMFYSA-N
XLogP3.34
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2S)-1,1-difluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 24784872
4-[(2S)-1-fluoropropan-2-yl]-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 66882499
4-(2,2-difluoroethoxy)-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 87189625
N-[4-methoxy-2-[2-(propylamino)ethoxy]pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide
CID 66720161
4-(2-fluoroethoxy)-N-[2-methoxy-6-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 90690627
4-(2-fluoroethoxy)-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 24785114
N-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide
CID 62349082
N,N-dimethyl-6-[2-(propylamino)ethoxy]pyridine-3-sulfonamide
CID 103341282
4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717880
4-butan-2-yl-N-[2-(2-methoxyphenoxy)ethyl]benzenesulfonamide
CID 55352634
4-propan-2-yl-N-[6-[2-(propylamino)ethyl]-3-pyridinyl]benzenesulfonamide;dihydrochloride
CID 69243399
N-[2-(4-methylsulfonylphenoxy)ethyl]propan-1-amine
CID 43807211

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-fluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-[(2R)-1-fluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide (CID 66883107) is 4-[(2R)-1-fluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2R)-1-fluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-[(2R)-1-fluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide is CCCNCCOc1ccc(NS(=O)(=O)c2ccc([C@@H](C)CF)cc2)c(OC)n1.
What is the InChIKey of 4-[(2R)-1-fluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
The InChIKey is FVTXKTONYQKHLF-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28FN3O4S/c1-4-11-22-12-13-28-19-10-9-18(20(23-19)27-3)24-29(25,26)17-7-5-16(6-8-17)15(2)14-21/h5-10,15,22,24H,4,11-14H2,1-3H3/t15-/m0/s1.
What are the key properties of 4-[(2R)-1-fluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
4-[(2R)-1-fluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide has a molecular weight of 425.53 g/mol, XLogP of 3.34, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-fluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 66883107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).