[2-chloro-6-(4-morpholin-4-ylsulfonylphenoxy)phenyl]methanamine

C17H19ClN2O4S — CID 67046009

IUPAC[2-chloro-6-(4-morpholin-4-ylsulfonylphenoxy)phenyl]methanamine
SMILESNCc1c(Cl)cccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H19ClN2O4S/c18-16-2-1-3-17(15(16)12-19)24-13-4-6-14(7-5-13)25(21,22)20-8-10-23-11-9-20/h1-7H,8-12,19H2
InChIKeyPEVNISCVTDDGLA-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.61
Rot. Bonds5

About [2-chloro-6-(4-morpholin-4-ylsulfonylphenoxy)phenyl]methanamine

[2-chloro-6-(4-morpholin-4-ylsulfonylphenoxy)phenyl]methanamine (PubChem CID 67046009) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is [2-chloro-6-(4-morpholin-4-ylsulfonylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(4-morpholin-4-ylsulfonylphenoxy)phenyl]methanamine
PubChem CID67046009
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name[2-chloro-6-(4-morpholin-4-ylsulfonylphenoxy)phenyl]methanamine
SMILESNCc1c(Cl)cccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H19ClN2O4S/c18-16-2-1-3-17(15(16)12-19)24-13-4-6-14(7-5-13)25(21,22)20-8-10-23-11-9-20/h1-7H,8-12,19H2
InChIKeyPEVNISCVTDDGLA-UHFFFAOYSA-N
XLogP2.61
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-chlorophenoxy)phenyl]sulfonylmorpholine
CID 2940068
N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]hydroxylamine
CID 142989221
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine
CID 1257549
4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
4-[4-(7-chloroquinolin-4-yl)oxyphenyl]sulfonylmorpholine
CID 9311294
N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide
CID 4643270
(2,6-dichlorophenyl)methyl 3-morpholin-4-ylsulfonylbenzoate
CID 3881393
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
1-(4-phenoxyphenyl)sulfonylpiperidine
CID 779936
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
N-(2-chlorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6491403

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(4-morpholin-4-ylsulfonylphenoxy)phenyl]methanamine?
The IUPAC name of [2-chloro-6-(4-morpholin-4-ylsulfonylphenoxy)phenyl]methanamine (CID 67046009) is [2-chloro-6-(4-morpholin-4-ylsulfonylphenoxy)phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(4-morpholin-4-ylsulfonylphenoxy)phenyl]methanamine?
The canonical SMILES for [2-chloro-6-(4-morpholin-4-ylsulfonylphenoxy)phenyl]methanamine is NCc1c(Cl)cccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-chloro-6-(4-morpholin-4-ylsulfonylphenoxy)phenyl]methanamine?
The InChIKey is PEVNISCVTDDGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c18-16-2-1-3-17(15(16)12-19)24-13-4-6-14(7-5-13)25(21,22)20-8-10-23-11-9-20/h1-7H,8-12,19H2.
What are the key properties of [2-chloro-6-(4-morpholin-4-ylsulfonylphenoxy)phenyl]methanamine?
[2-chloro-6-(4-morpholin-4-ylsulfonylphenoxy)phenyl]methanamine has a molecular weight of 382.87 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(4-morpholin-4-ylsulfonylphenoxy)phenyl]methanamine is sourced from PubChem (CID 67046009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).