2,4,6-trifluoro-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)benzenesulfonamide

C15H18F3NO3S2 — CID 154738687

IUPAC2,4,6-trifluoro-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOC2(CCSCC2)C1)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H18F3NO3S2/c16-10-7-12(17)14(13(18)8-10)24(20,21)19-11-1-4-22-15(9-11)2-5-23-6-3-15/h7-8,11,19H,1-6,9H2
InChIKeyPBFQRBWGSNPANC-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.83
Rot. Bonds3

About 2,4,6-trifluoro-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)benzenesulfonamide

2,4,6-trifluoro-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)benzenesulfonamide (PubChem CID 154738687) has the molecular formula C15H18F3NO3S2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)benzenesulfonamide
PubChem CID154738687
Molecular FormulaC15H18F3NO3S2
Molecular Weight381.44 g/mol
Exact Mass381.07
IUPAC Name2,4,6-trifluoro-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOC2(CCSCC2)C1)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H18F3NO3S2/c16-10-7-12(17)14(13(18)8-10)24(20,21)19-11-1-4-22-15(9-11)2-5-23-6-3-15/h7-8,11,19H,1-6,9H2
InChIKeyPBFQRBWGSNPANC-UHFFFAOYSA-N
XLogP2.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,9-Dioxaspiro[5.5]undec-4-yl{2-[(4-fluorophenyl)sulfonyl]ethyl}amine
CID 70777270
3,5-difluoro-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)benzenesulfonamide
CID 75430033
N-(2,2-diethyloxan-4-yl)-4-fluorobenzenesulfonamide
CID 82764891
N-(2,2-diethyloxan-4-yl)-2-fluorobenzenesulfonamide
CID 82765028
N-(2,2-dioxo-6-oxa-2lambda6-thiaspiro[4.5]decan-9-yl)-2,4,5-trifluorobenzenesulfonamide
CID 86771239
(4R)-N-[2-(4-fluorophenyl)sulfonylethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96580441
(4S)-N-[2-(4-fluorophenyl)sulfonylethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96580442
3,5-difluoro-N-[(5S,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]benzenesulfonamide
CID 97325083
3,5-difluoro-N-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]benzenesulfonamide
CID 97325084
3,5-difluoro-N-[(5R,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]benzenesulfonamide
CID 97325085
3,5-difluoro-N-[(5R,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]benzenesulfonamide
CID 97325086
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 127613200

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trifluoro-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)benzenesulfonamide (CID 154738687) is 2,4,6-trifluoro-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trifluoro-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trifluoro-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)benzenesulfonamide is O=S(=O)(NC1CCOC2(CCSCC2)C1)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)benzenesulfonamide?
The InChIKey is PBFQRBWGSNPANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3S2/c16-10-7-12(17)14(13(18)8-10)24(20,21)19-11-1-4-22-15(9-11)2-5-23-6-3-15/h7-8,11,19H,1-6,9H2.
What are the key properties of 2,4,6-trifluoro-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)benzenesulfonamide?
2,4,6-trifluoro-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)benzenesulfonamide has a molecular weight of 381.44 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)benzenesulfonamide is sourced from PubChem (CID 154738687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).