3-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoro-2,4-dimethylaniline

C14H21FN2O3S — CID 107325666

IUPAC3-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoro-2,4-dimethylaniline
SMILESCc1cc(F)c(N)c(C)c1S(=O)(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C14H21FN2O3S/c1-9-7-11(15)12(16)10(2)13(9)21(18,19)17-5-6-20-14(3,4)8-17/h7H,5-6,8,16H2,1-4H3
InChIKeyJBYVQTUAPBQMST-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.82
Rot. Bonds2

About 3-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoro-2,4-dimethylaniline

3-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoro-2,4-dimethylaniline (PubChem CID 107325666) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoro-2,4-dimethylaniline.

Molecular Properties

Compound Name3-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoro-2,4-dimethylaniline
PubChem CID107325666
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name3-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoro-2,4-dimethylaniline
SMILESCc1cc(F)c(N)c(C)c1S(=O)(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C14H21FN2O3S/c1-9-7-11(15)12(16)10(2)13(9)21(18,19)17-5-6-20-14(3,4)8-17/h7H,5-6,8,16H2,1-4H3
InChIKeyJBYVQTUAPBQMST-UHFFFAOYSA-N
XLogP1.82
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,2-dimethylmorpholine
CID 107326755
3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-fluoro-5-methylaniline
CID 80645839
2-bromo-3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoroaniline
CID 103077319
3,5-dibromo-2-(2,2-dimethylmorpholin-4-yl)sulfonylaniline
CID 43592467
6-fluoro-2,4-dimethyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 106313380
3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-methylaniline
CID 43592447
4-(2,2-dimethylmorpholin-4-yl)sulfonyl-3-fluorobenzoic acid
CID 79177245
6-fluoro-2,4-dimethyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 107325512
4-amino-2-(2,2-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 102931001
2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-methoxyaniline
CID 43592433
4-(2,2-dimethylmorpholin-4-yl)sulfonyl-3-nitroaniline
CID 62147726
5-(2,2-dimethylmorpholin-4-yl)sulfonyl-N,N,2-trimethylaniline
CID 71921344

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoro-2,4-dimethylaniline?
The IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoro-2,4-dimethylaniline (CID 107325666) is 3-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoro-2,4-dimethylaniline.
What is the SMILES notation for 3-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoro-2,4-dimethylaniline?
The canonical SMILES for 3-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoro-2,4-dimethylaniline is Cc1cc(F)c(N)c(C)c1S(=O)(=O)N1CCOC(C)(C)C1.
What is the InChIKey of 3-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoro-2,4-dimethylaniline?
The InChIKey is JBYVQTUAPBQMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-9-7-11(15)12(16)10(2)13(9)21(18,19)17-5-6-20-14(3,4)8-17/h7H,5-6,8,16H2,1-4H3.
What are the key properties of 3-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoro-2,4-dimethylaniline?
3-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoro-2,4-dimethylaniline has a molecular weight of 316.40 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoro-2,4-dimethylaniline is sourced from PubChem (CID 107325666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).