(2-fluoro-3-methyl-5-thiomorpholin-4-ylsulfonylphenyl)methanol

C12H16FNO3S2 — CID 81435732

IUPAC(2-fluoro-3-methyl-5-thiomorpholin-4-ylsulfonylphenyl)methanol
SMILESCc1cc(S(=O)(=O)N2CCSCC2)cc(CO)c1F
InChIInChI=1S/C12H16FNO3S2/c1-9-6-11(7-10(8-15)12(9)13)19(16,17)14-2-4-18-5-3-14/h6-7,15H,2-5,8H2,1H3
InChIKeyPMOGPZYPKCTVOB-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.36
Rot. Bonds3

About (2-fluoro-3-methyl-5-thiomorpholin-4-ylsulfonylphenyl)methanol

(2-fluoro-3-methyl-5-thiomorpholin-4-ylsulfonylphenyl)methanol (PubChem CID 81435732) has the molecular formula C12H16FNO3S2 and a molecular weight of 305.40 g/mol. Its IUPAC name is (2-fluoro-3-methyl-5-thiomorpholin-4-ylsulfonylphenyl)methanol.

Molecular Properties

Compound Name(2-fluoro-3-methyl-5-thiomorpholin-4-ylsulfonylphenyl)methanol
PubChem CID81435732
Molecular FormulaC12H16FNO3S2
Molecular Weight305.40 g/mol
Exact Mass305.06
IUPAC Name(2-fluoro-3-methyl-5-thiomorpholin-4-ylsulfonylphenyl)methanol
SMILESCc1cc(S(=O)(=O)N2CCSCC2)cc(CO)c1F
InChIInChI=1S/C12H16FNO3S2/c1-9-6-11(7-10(8-15)12(9)13)19(16,17)14-2-4-18-5-3-14/h6-7,15H,2-5,8H2,1H3
InChIKeyPMOGPZYPKCTVOB-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(azepan-1-ylsulfonyl)-2-fluoro-3-methylphenyl]-N-methylmethanamine
CID 81427594
4-[3-(chloromethyl)-4-fluoro-5-methylphenyl]sulfonyl-1,4-oxazepane
CID 81435742
1-[3-(chloromethyl)-4-fluoro-5-methylphenyl]sulfonyl-4-methoxypiperidine
CID 81427396
[2-fluoro-3-methyl-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine
CID 81428280
4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 81435406
2-fluoro-3-methyl-5-pyrrolidin-1-ylsulfonylbenzoic acid
CID 81434428
1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine
CID 119959097
[2-fluoro-3-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 81435857
4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylthiomorpholine
CID 52821226
2-methyl-5-thiomorpholin-4-ylsulfonylbenzoic acid
CID 29266576
N-cyclopentyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide
CID 81435941
4-(4-methylphenyl)sulfonylthiomorpholine
CID 4068383

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methyl-5-thiomorpholin-4-ylsulfonylphenyl)methanol?
The IUPAC name of (2-fluoro-3-methyl-5-thiomorpholin-4-ylsulfonylphenyl)methanol (CID 81435732) is (2-fluoro-3-methyl-5-thiomorpholin-4-ylsulfonylphenyl)methanol.
What is the SMILES notation for (2-fluoro-3-methyl-5-thiomorpholin-4-ylsulfonylphenyl)methanol?
The canonical SMILES for (2-fluoro-3-methyl-5-thiomorpholin-4-ylsulfonylphenyl)methanol is Cc1cc(S(=O)(=O)N2CCSCC2)cc(CO)c1F.
What is the InChIKey of (2-fluoro-3-methyl-5-thiomorpholin-4-ylsulfonylphenyl)methanol?
The InChIKey is PMOGPZYPKCTVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S2/c1-9-6-11(7-10(8-15)12(9)13)19(16,17)14-2-4-18-5-3-14/h6-7,15H,2-5,8H2,1H3.
What are the key properties of (2-fluoro-3-methyl-5-thiomorpholin-4-ylsulfonylphenyl)methanol?
(2-fluoro-3-methyl-5-thiomorpholin-4-ylsulfonylphenyl)methanol has a molecular weight of 305.40 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methyl-5-thiomorpholin-4-ylsulfonylphenyl)methanol is sourced from PubChem (CID 81435732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).