2-cyano-3-[[4-(4-fluorophenyl)oxan-4-yl]methylamino]benzenesulfonamide

C19H20FN3O3S — CID 86804860

IUPAC2-cyano-3-[[4-(4-fluorophenyl)oxan-4-yl]methylamino]benzenesulfonamide
SMILESN#Cc1c(NCC2(c3ccc(F)cc3)CCOCC2)cccc1S(N)(=O)=O
InChIInChI=1S/C19H20FN3O3S/c20-15-6-4-14(5-7-15)19(8-10-26-11-9-19)13-23-17-2-1-3-18(16(17)12-21)27(22,24)25/h1-7,23H,8-11,13H2,(H2,22,24,25)
InChIKeyUZDKKXCCOMJHFY-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.51
Rot. Bonds5

About 2-cyano-3-[[4-(4-fluorophenyl)oxan-4-yl]methylamino]benzenesulfonamide

2-cyano-3-[[4-(4-fluorophenyl)oxan-4-yl]methylamino]benzenesulfonamide (PubChem CID 86804860) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-cyano-3-[[4-(4-fluorophenyl)oxan-4-yl]methylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-3-[[4-(4-fluorophenyl)oxan-4-yl]methylamino]benzenesulfonamide
PubChem CID86804860
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name2-cyano-3-[[4-(4-fluorophenyl)oxan-4-yl]methylamino]benzenesulfonamide
SMILESN#Cc1c(NCC2(c3ccc(F)cc3)CCOCC2)cccc1S(N)(=O)=O
InChIInChI=1S/C19H20FN3O3S/c20-15-6-4-14(5-7-15)19(8-10-26-11-9-19)13-23-17-2-1-3-18(16(17)12-21)27(22,24)25/h1-7,23H,8-11,13H2,(H2,22,24,25)
InChIKeyUZDKKXCCOMJHFY-UHFFFAOYSA-N
XLogP2.51
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-6-[[4-(methylsulfonylmethyl)oxan-4-yl]methylamino]benzonitrile
CID 133405829
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27451425
2-[[4-(4-ethoxyphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide
CID 139000511
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 27451515
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide
CID 71869222
2-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methylamino]pyridine-3-sulfonamide
CID 139000508
4-[[4-(2-chlorophenyl)oxan-4-yl]methylamino]-3-cyanobenzenesulfonamide
CID 133319980
1-(3-cyanophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]methanesulfonamide
CID 86839207
1-(2-cyano-4-fluorophenyl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 78896439
2-[(3-hydroxyoxolan-3-yl)methylamino]benzenesulfonamide
CID 106102216

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-[[4-(4-fluorophenyl)oxan-4-yl]methylamino]benzenesulfonamide?
The IUPAC name of 2-cyano-3-[[4-(4-fluorophenyl)oxan-4-yl]methylamino]benzenesulfonamide (CID 86804860) is 2-cyano-3-[[4-(4-fluorophenyl)oxan-4-yl]methylamino]benzenesulfonamide.
What is the SMILES notation for 2-cyano-3-[[4-(4-fluorophenyl)oxan-4-yl]methylamino]benzenesulfonamide?
The canonical SMILES for 2-cyano-3-[[4-(4-fluorophenyl)oxan-4-yl]methylamino]benzenesulfonamide is N#Cc1c(NCC2(c3ccc(F)cc3)CCOCC2)cccc1S(N)(=O)=O.
What is the InChIKey of 2-cyano-3-[[4-(4-fluorophenyl)oxan-4-yl]methylamino]benzenesulfonamide?
The InChIKey is UZDKKXCCOMJHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c20-15-6-4-14(5-7-15)19(8-10-26-11-9-19)13-23-17-2-1-3-18(16(17)12-21)27(22,24)25/h1-7,23H,8-11,13H2,(H2,22,24,25).
What are the key properties of 2-cyano-3-[[4-(4-fluorophenyl)oxan-4-yl]methylamino]benzenesulfonamide?
2-cyano-3-[[4-(4-fluorophenyl)oxan-4-yl]methylamino]benzenesulfonamide has a molecular weight of 389.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-[[4-(4-fluorophenyl)oxan-4-yl]methylamino]benzenesulfonamide is sourced from PubChem (CID 86804860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).