4-[(2S)-1,1-difluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide

C20H27F2N3O4S — CID 24784872

IUPAC4-[(2S)-1,1-difluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
SMILESCCCNCCOc1ccc(NS(=O)(=O)c2ccc([C@H](C)C(F)F)cc2)c(OC)n1
InChIInChI=1S/C20H27F2N3O4S/c1-4-11-23-12-13-29-18-10-9-17(20(24-18)28-3)25-30(26,27)16-7-5-15(6-8-16)14(2)19(21)22/h5-10,14,19,23,25H,4,11-13H2,1-3H3/t14-/m0/s1
InChIKeyIGAKEMHBBVPMSS-AWEZNQCLSA-N
MW443.52 g/mol
LogP3.64
Rot. Bonds12

About 4-[(2S)-1,1-difluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide

4-[(2S)-1,1-difluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide (PubChem CID 24784872) has the molecular formula C20H27F2N3O4S and a molecular weight of 443.52 g/mol. Its IUPAC name is 4-[(2S)-1,1-difluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2S)-1,1-difluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
PubChem CID24784872
Molecular FormulaC20H27F2N3O4S
Molecular Weight443.52 g/mol
Exact Mass443.17
IUPAC Name4-[(2S)-1,1-difluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
SMILESCCCNCCOc1ccc(NS(=O)(=O)c2ccc([C@H](C)C(F)F)cc2)c(OC)n1
InChIInChI=1S/C20H27F2N3O4S/c1-4-11-23-12-13-29-18-10-9-17(20(24-18)28-3)25-30(26,27)16-7-5-15(6-8-16)14(2)19(21)22/h5-10,14,19,23,25H,4,11-13H2,1-3H3/t14-/m0/s1
InChIKeyIGAKEMHBBVPMSS-AWEZNQCLSA-N
XLogP3.64
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 53.64
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-[(2R)-1-fluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 66883107
4-(2,2-difluoroethoxy)-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 87189625
4-[(2S)-1-fluoropropan-2-yl]-N-[2-methyl-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide
CID 66882499
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-(1,1-difluoropropan-2-yl)-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
CID 68913990
N-(7-ethyl-2-methoxy-5-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 130246278
4-[(1R)-1-methoxyethyl]-N-(2-methoxy-7-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide
CID 130228777
4-(difluoromethoxy)-N-(7-ethyl-2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-3-yl)benzenesulfonamide
CID 130246402

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1,1-difluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-[(2S)-1,1-difluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide (CID 24784872) is 4-[(2S)-1,1-difluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2S)-1,1-difluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-[(2S)-1,1-difluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide is CCCNCCOc1ccc(NS(=O)(=O)c2ccc([C@H](C)C(F)F)cc2)c(OC)n1.
What is the InChIKey of 4-[(2S)-1,1-difluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
The InChIKey is IGAKEMHBBVPMSS-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H27F2N3O4S/c1-4-11-23-12-13-29-18-10-9-17(20(24-18)28-3)25-30(26,27)16-7-5-15(6-8-16)14(2)19(21)22/h5-10,14,19,23,25H,4,11-13H2,1-3H3/t14-/m0/s1.
What are the key properties of 4-[(2S)-1,1-difluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide?
4-[(2S)-1,1-difluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide has a molecular weight of 443.52 g/mol, XLogP of 3.64, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1,1-difluoropropan-2-yl]-N-[2-methoxy-6-[2-(propylamino)ethoxy]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 24784872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).