2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate

C19H20ClNO5S — CID 1081914

IUPAC2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C19H20ClNO5S/c20-18-7-6-16(27(23,24)21-9-12-25-13-10-21)14-17(18)19(22)26-11-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2
InChIKeyQWBWKCSKNJNQBF-UHFFFAOYSA-N
MW409.89 g/mol
LogP2.76
Rot. Bonds6

About 2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate

2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 1081914) has the molecular formula C19H20ClNO5S and a molecular weight of 409.89 g/mol. Its IUPAC name is 2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID1081914
Molecular FormulaC19H20ClNO5S
Molecular Weight409.89 g/mol
Exact Mass409.08
IUPAC Name2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C19H20ClNO5S/c20-18-7-6-16(27(23,24)21-9-12-25-13-10-21)14-17(18)19(22)26-11-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2
InChIKeyQWBWKCSKNJNQBF-UHFFFAOYSA-N
XLogP2.76
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.89
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 1124170
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CID 2662285
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
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2-(4-methylphenoxy)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2495575
2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide
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[3-(trifluoromethyl)phenyl]methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 3649598
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 35728362
(4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
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(2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate
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(2-bromophenyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate
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CID 55454232

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of 2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate (CID 1081914) is 2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for 2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for 2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate is O=C(OCCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is QWBWKCSKNJNQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO5S/c20-18-7-6-16(27(23,24)21-9-12-25-13-10-21)14-17(18)19(22)26-11-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2.
What are the key properties of 2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 409.89 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 1081914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).