3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-methylaniline

C13H19ClN2O3S — CID 43592447

IUPAC3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-methylaniline
SMILESCc1c(N)cc(S(=O)(=O)N2CCOC(C)(C)C2)cc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-9-11(14)6-10(7-12(9)15)20(17,18)16-4-5-19-13(2,3)8-16/h6-7H,4-5,8,15H2,1-3H3
InChIKeyDWZNTXDUDKKIQN-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.03
Rot. Bonds2

About 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-methylaniline

3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-methylaniline (PubChem CID 43592447) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-methylaniline.

Molecular Properties

Compound Name3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-methylaniline
PubChem CID43592447
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-methylaniline
SMILESCc1c(N)cc(S(=O)(=O)N2CCOC(C)(C)C2)cc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-9-11(14)6-10(7-12(9)15)20(17,18)16-4-5-19-13(2,3)8-16/h6-7H,4-5,8,15H2,1-3H3
InChIKeyDWZNTXDUDKKIQN-UHFFFAOYSA-N
XLogP2.03
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.03
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-chloro-5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylaniline
CID 62937558
1-(3-amino-5-chloro-4-methylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81096444
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2-dimethylmorpholine
CID 64607202
3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64607116
2-chloro-4-(2,2-dimethylmorpholin-4-yl)sulfonylbenzonitrile
CID 115582140
3,5-dibromo-2-(2,2-dimethylmorpholin-4-yl)sulfonylaniline
CID 43592467
3-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoro-2,4-dimethylaniline
CID 107325666
2-bromo-3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoroaniline
CID 103077319
2-[4-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501308
1-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperidin-3-ol
CID 43502770
5-(2,2-dimethylmorpholin-4-yl)sulfonyl-N,N,2-trimethylaniline
CID 71921344
3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-fluoro-5-methylaniline
CID 80645839

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-methylaniline?
The IUPAC name of 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-methylaniline (CID 43592447) is 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-methylaniline.
What is the SMILES notation for 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-methylaniline?
The canonical SMILES for 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-methylaniline is Cc1c(N)cc(S(=O)(=O)N2CCOC(C)(C)C2)cc1Cl.
What is the InChIKey of 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-methylaniline?
The InChIKey is DWZNTXDUDKKIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-9-11(14)6-10(7-12(9)15)20(17,18)16-4-5-19-13(2,3)8-16/h6-7H,4-5,8,15H2,1-3H3.
What are the key properties of 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-methylaniline?
3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-methylaniline has a molecular weight of 318.83 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-methylaniline is sourced from PubChem (CID 43592447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).