3,5-dichloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline

C12H16Cl2N2O3S — CID 43257069

IUPAC3,5-dichloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline
SMILESCC1CN(S(=O)(=O)c2c(Cl)cc(N)cc2Cl)CC(C)O1
InChIInChI=1S/C12H16Cl2N2O3S/c1-7-5-16(6-8(2)19-7)20(17,18)12-10(13)3-9(15)4-11(12)14/h3-4,7-8H,5-6,15H2,1-2H3
InChIKeyMEIQDDYNUOKEAJ-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.37
Rot. Bonds2

About 3,5-dichloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline

3,5-dichloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline (PubChem CID 43257069) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is 3,5-dichloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline.

Molecular Properties

Compound Name3,5-dichloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline
PubChem CID43257069
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC Name3,5-dichloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline
SMILESCC1CN(S(=O)(=O)c2c(Cl)cc(N)cc2Cl)CC(C)O1
InChIInChI=1S/C12H16Cl2N2O3S/c1-7-5-16(6-8(2)19-7)20(17,18)12-10(13)3-9(15)4-11(12)14/h3-4,7-8H,5-6,15H2,1-2H3
InChIKeyMEIQDDYNUOKEAJ-UHFFFAOYSA-N
XLogP2.37
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.37
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

3,5-dichloro-4-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
CID 114542749
3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43257079
3,5-dichloro-4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 103504991
2,6-dichloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylaniline
CID 104957703
[4-(4-amino-2-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931874
(2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 39730574
4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2938439
3,5-dichloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591883
3,5-dichloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 114407765
3,5-dichloro-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 106585755
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3,5-dichloroaniline
CID 61105694
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 18228816

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline?
The IUPAC name of 3,5-dichloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline (CID 43257069) is 3,5-dichloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline.
What is the SMILES notation for 3,5-dichloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline?
The canonical SMILES for 3,5-dichloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline is CC1CN(S(=O)(=O)c2c(Cl)cc(N)cc2Cl)CC(C)O1.
What is the InChIKey of 3,5-dichloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline?
The InChIKey is MEIQDDYNUOKEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c1-7-5-16(6-8(2)19-7)20(17,18)12-10(13)3-9(15)4-11(12)14/h3-4,7-8H,5-6,15H2,1-2H3.
What are the key properties of 3,5-dichloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline?
3,5-dichloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline has a molecular weight of 339.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline is sourced from PubChem (CID 43257069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).