N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-fluoro-4-methoxybenzenesulfonamide

C16H22FNO5S — CID 16823600

IUPACN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2COC3(CCCCC3)O2)cc1F
InChIInChI=1S/C16H22FNO5S/c1-21-15-6-5-13(9-14(15)17)24(19,20)18-10-12-11-22-16(23-12)7-3-2-4-8-16/h5-6,9,12,18H,2-4,7-8,10-11H2,1H3
InChIKeyUESIMQLVSKCNID-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.19
Rot. Bonds5

About N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-fluoro-4-methoxybenzenesulfonamide

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-fluoro-4-methoxybenzenesulfonamide (PubChem CID 16823600) has the molecular formula C16H22FNO5S and a molecular weight of 359.42 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-fluoro-4-methoxybenzenesulfonamide
PubChem CID16823600
Molecular FormulaC16H22FNO5S
Molecular Weight359.42 g/mol
Exact Mass359.12
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2COC3(CCCCC3)O2)cc1F
InChIInChI=1S/C16H22FNO5S/c1-21-15-6-5-13(9-14(15)17)24(19,20)18-10-12-11-22-16(23-12)7-3-2-4-8-16/h5-6,9,12,18H,2-4,7-8,10-11H2,1H3
InChIKeyUESIMQLVSKCNID-UHFFFAOYSA-N
XLogP2.19
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 41412210
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-methoxybenzenesulfonamide
CID 16800178
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 18583970
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide
CID 71796459
N'-(3,4-dimethoxyphenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7423674
5-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)thiophene-2-sulfonamide
CID 18583969
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide
CID 41412128
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 103815248
N'-(3,4-dimethoxyphenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18584032
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-(2-methoxyphenoxy)ethanamine
CID 134157330
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide
CID 18583883

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-fluoro-4-methoxybenzenesulfonamide (CID 16823600) is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-fluoro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC2COC3(CCCCC3)O2)cc1F.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is UESIMQLVSKCNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO5S/c1-21-15-6-5-13(9-14(15)17)24(19,20)18-10-12-11-22-16(23-12)7-3-2-4-8-16/h5-6,9,12,18H,2-4,7-8,10-11H2,1H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-fluoro-4-methoxybenzenesulfonamide?
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 359.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 16823600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).