3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride

C12H16FNO5S2 — CID 114791367

IUPAC3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride
SMILESCC1CN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C(C)CO1
InChIInChI=1S/C12H16FNO5S2/c1-9-8-19-10(2)7-14(9)21(17,18)12-5-3-4-11(6-12)20(13,15)16/h3-6,9-10H,7-8H2,1-2H3
InChIKeyDCCASCZGDAPCMX-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.14
Rot. Bonds3

About 3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride

3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride (PubChem CID 114791367) has the molecular formula C12H16FNO5S2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride
PubChem CID114791367
Molecular FormulaC12H16FNO5S2
Molecular Weight337.39 g/mol
Exact Mass337.05
IUPAC Name3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride
SMILESCC1CN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C(C)CO1
InChIInChI=1S/C12H16FNO5S2/c1-9-8-19-10(2)7-14(9)21(17,18)12-5-3-4-11(6-12)20(13,15)16/h3-6,9-10H,7-8H2,1-2H3
InChIKeyDCCASCZGDAPCMX-UHFFFAOYSA-N
XLogP1.14
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride 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

3-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonylbenzonitrile
CID 35406577
4-(3-bromophenyl)sulfonyl-2-(chloromethyl)-5-methylmorpholine
CID 81211858
(2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine
CID 51943139
4-(4-chloro-3-nitrophenyl)sulfonyl-2,5-dimethylmorpholine
CID 43544676
(2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine
CID 51682945
4-(2,5-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 43421867
2-chloro-5-(2,5-dimethylmorpholin-4-yl)sulfonylbenzonitrile
CID 47304224
4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine
CID 46596057
2-[4-(2,5-dimethylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43544549
4-(3-fluoro-2-nitrophenyl)sulfonyl-2,5-dimethylmorpholine
CID 115589516
4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
CID 110369381
4-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethylmorpholine
CID 110727700

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride?
The IUPAC name of 3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride (CID 114791367) is 3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride.
What is the SMILES notation for 3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride?
The canonical SMILES for 3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride is CC1CN(S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C(C)CO1.
What is the InChIKey of 3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride?
The InChIKey is DCCASCZGDAPCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO5S2/c1-9-8-19-10(2)7-14(9)21(17,18)12-5-3-4-11(6-12)20(13,15)16/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride?
3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride has a molecular weight of 337.39 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride is sourced from PubChem (CID 114791367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).