6-(3-chloro-4-methoxyphenyl)sulfonyl-2,2-difluoro-6-azaspiro[2.5]octane

C14H16ClF2NO3S — CID 126851681

IUPAC6-(3-chloro-4-methoxyphenyl)sulfonyl-2,2-difluoro-6-azaspiro[2.5]octane
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)CC3(F)F)cc1Cl
InChIInChI=1S/C14H16ClF2NO3S/c1-21-12-3-2-10(8-11(12)15)22(19,20)18-6-4-13(5-7-18)9-14(13,16)17/h2-3,8H,4-7,9H2,1H3
InChIKeyNTFVELCOQDJEQQ-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.16
Rot. Bonds3

About 6-(3-chloro-4-methoxyphenyl)sulfonyl-2,2-difluoro-6-azaspiro[2.5]octane

6-(3-chloro-4-methoxyphenyl)sulfonyl-2,2-difluoro-6-azaspiro[2.5]octane (PubChem CID 126851681) has the molecular formula C14H16ClF2NO3S and a molecular weight of 351.80 g/mol. Its IUPAC name is 6-(3-chloro-4-methoxyphenyl)sulfonyl-2,2-difluoro-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name6-(3-chloro-4-methoxyphenyl)sulfonyl-2,2-difluoro-6-azaspiro[2.5]octane
PubChem CID126851681
Molecular FormulaC14H16ClF2NO3S
Molecular Weight351.80 g/mol
Exact Mass351.05
IUPAC Name6-(3-chloro-4-methoxyphenyl)sulfonyl-2,2-difluoro-6-azaspiro[2.5]octane
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)CC3(F)F)cc1Cl
InChIInChI=1S/C14H16ClF2NO3S/c1-21-12-3-2-10(8-11(12)15)22(19,20)18-6-4-13(5-7-18)9-14(13,16)17/h2-3,8H,4-7,9H2,1H3
InChIKeyNTFVELCOQDJEQQ-UHFFFAOYSA-N
XLogP3.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721471
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 37479505
1-(3-chloro-4-methoxyphenyl)sulfonyl-3-methylpiperidin-3-ol
CID 115872336
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(3,4-dimethylphenyl)piperazine
CID 113075565
2-(3-chloro-4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867911
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-fluoro-2-methoxyphenyl)piperazine
CID 86959908
1-(3-chloro-4-methoxyphenyl)sulfonyl-3-methylpiperidine-3-carboxylic acid
CID 136533171
6-bromo-1'-(3-chloro-4-methoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100760439
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999277
N-[3,5-bis(trifluoromethyl)phenyl]-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 43872812
1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-one
CID 110665618
5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline
CID 62937387

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methoxyphenyl)sulfonyl-2,2-difluoro-6-azaspiro[2.5]octane?
The IUPAC name of 6-(3-chloro-4-methoxyphenyl)sulfonyl-2,2-difluoro-6-azaspiro[2.5]octane (CID 126851681) is 6-(3-chloro-4-methoxyphenyl)sulfonyl-2,2-difluoro-6-azaspiro[2.5]octane.
What is the SMILES notation for 6-(3-chloro-4-methoxyphenyl)sulfonyl-2,2-difluoro-6-azaspiro[2.5]octane?
The canonical SMILES for 6-(3-chloro-4-methoxyphenyl)sulfonyl-2,2-difluoro-6-azaspiro[2.5]octane is COc1ccc(S(=O)(=O)N2CCC3(CC2)CC3(F)F)cc1Cl.
What is the InChIKey of 6-(3-chloro-4-methoxyphenyl)sulfonyl-2,2-difluoro-6-azaspiro[2.5]octane?
The InChIKey is NTFVELCOQDJEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2NO3S/c1-21-12-3-2-10(8-11(12)15)22(19,20)18-6-4-13(5-7-18)9-14(13,16)17/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 6-(3-chloro-4-methoxyphenyl)sulfonyl-2,2-difluoro-6-azaspiro[2.5]octane?
6-(3-chloro-4-methoxyphenyl)sulfonyl-2,2-difluoro-6-azaspiro[2.5]octane has a molecular weight of 351.80 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methoxyphenyl)sulfonyl-2,2-difluoro-6-azaspiro[2.5]octane is sourced from PubChem (CID 126851681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).