4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline

C11H15ClN2O3S — CID 54888902

IUPAC4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline
SMILESCC1COCCN1S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C11H15ClN2O3S/c1-8-7-17-5-4-14(8)18(15,16)11-6-9(12)2-3-10(11)13/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyOMHNOWXIVPXCNX-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.33
Rot. Bonds2

About 4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline

4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline (PubChem CID 54888902) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline.

Molecular Properties

Compound Name4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline
PubChem CID54888902
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline
SMILESCC1COCCN1S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C11H15ClN2O3S/c1-8-7-17-5-4-14(8)18(15,16)11-6-9(12)2-3-10(11)13/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyOMHNOWXIVPXCNX-UHFFFAOYSA-N
XLogP1.33
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.33
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-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773826
4-(4-chlorophenyl)sulfonyl-3-methylmorpholine
CID 47171390
2,4-difluoro-5-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541752
2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline
CID 107343186
3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 93111095
4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773841
[5-chloro-2-methyl-3-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol
CID 82891083
4-(2-chloro-5-nitrophenyl)sulfonyl-3-methylmorpholine
CID 43429161
4-amino-2-[(3R)-3-methylmorpholin-4-yl]sulfonylbenzoic acid
CID 106773819
4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541753
4-chloro-2-(1,4-oxazepan-4-ylsulfonyl)aniline
CID 62987073
3-methyl-2-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 93111021

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline?
The IUPAC name of 4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline (CID 54888902) is 4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline.
What is the SMILES notation for 4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline?
The canonical SMILES for 4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline is CC1COCCN1S(=O)(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline?
The InChIKey is OMHNOWXIVPXCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-8-7-17-5-4-14(8)18(15,16)11-6-9(12)2-3-10(11)13/h2-3,6,8H,4-5,7,13H2,1H3.
What are the key properties of 4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline?
4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline has a molecular weight of 290.77 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline is sourced from PubChem (CID 54888902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).