N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)methanesulfonamide

C16H22FNO4S — CID 127613200

IUPACN-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H22FNO4S/c17-14-3-1-13(2-4-14)12-23(19,20)18-15-5-8-22-16(11-15)6-9-21-10-7-16/h1-4,15,18H,5-12H2
InChIKeyHCMBQUOGFBNCOJ-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.97
Rot. Bonds4

About N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)methanesulfonamide

N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 127613200) has the molecular formula C16H22FNO4S and a molecular weight of 343.42 g/mol. Its IUPAC name is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)methanesulfonamide
PubChem CID127613200
Molecular FormulaC16H22FNO4S
Molecular Weight343.42 g/mol
Exact Mass343.13
IUPAC NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H22FNO4S/c17-14-3-1-13(2-4-14)12-23(19,20)18-15-5-8-22-16(11-15)6-9-21-10-7-16/h1-4,15,18H,5-12H2
InChIKeyHCMBQUOGFBNCOJ-UHFFFAOYSA-N
XLogP1.97
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyclohexyloxypropyl)-1-(4-fluorophenyl)methanesulfonamide
CID 32679933
1,9-Dioxaspiro[5.5]undec-4-yl{2-[(4-fluorophenyl)sulfonyl]ethyl}amine
CID 70777270
N-[4-(3,4-difluorophenyl)butan-2-yl]-1-(oxan-4-yl)methanesulfonamide
CID 71997621
N-(2,2-diethyloxan-4-yl)-4-fluorobenzenesulfonamide
CID 82764891
N-(2,2-diethyloxan-4-yl)-2-fluorobenzenesulfonamide
CID 82765028
1,5-anhydro-2,4-dideoxy-2-{[(4-fluorobenzyl)sulfonyl]amino}-3-O-methyl-D-threo-pentitol
CID 91781878
4-(Cyclopropylmethoxy)-9-[(2-fluorophenyl)methylsulfonyl]-1-oxa-9-azaspiro[5.5]undecane
CID 91918004
1-(3-fluorophenyl)-N-(octahydrobenzo[b][1,4]dioxin-6-yl)methanesulfonamide
CID 92092145
1-(2-fluorophenyl)-N-(octahydrobenzo[b][1,4]dioxin-6-yl)methanesulfonamide
CID 92092226
(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
N-[(2S)-4-(3,4-difluorophenyl)butan-2-yl]-1-(oxan-4-yl)methanesulfonamide
CID 97574834

Frequently Asked Questions

What is the IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)methanesulfonamide (CID 127613200) is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NC1CCOC2(CCOCC2)C1.
What is the InChIKey of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is HCMBQUOGFBNCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO4S/c17-14-3-1-13(2-4-14)12-23(19,20)18-15-5-8-22-16(11-15)6-9-21-10-7-16/h1-4,15,18H,5-12H2.
What are the key properties of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)methanesulfonamide?
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 343.42 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 127613200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).