benzyl 2-(chlorosulfonylmethyl)morpholine-4-carboxylate

C13H16ClNO5S — CID 119030847

IUPACbenzyl 2-(chlorosulfonylmethyl)morpholine-4-carboxylate
SMILESO=C(OCc1ccccc1)N1CCOC(CS(=O)(=O)Cl)C1
InChIInChI=1S/C13H16ClNO5S/c14-21(17,18)10-12-8-15(6-7-19-12)13(16)20-9-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyPNLZWWGBUHSCDJ-UHFFFAOYSA-N
MW333.79 g/mol
LogP1.59
Rot. Bonds4

About benzyl 2-(chlorosulfonylmethyl)morpholine-4-carboxylate

benzyl 2-(chlorosulfonylmethyl)morpholine-4-carboxylate (PubChem CID 119030847) has the molecular formula C13H16ClNO5S and a molecular weight of 333.79 g/mol. Its IUPAC name is benzyl 2-(chlorosulfonylmethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(chlorosulfonylmethyl)morpholine-4-carboxylate
PubChem CID119030847
Molecular FormulaC13H16ClNO5S
Molecular Weight333.79 g/mol
Exact Mass333.04
IUPAC Namebenzyl 2-(chlorosulfonylmethyl)morpholine-4-carboxylate
SMILESO=C(OCc1ccccc1)N1CCOC(CS(=O)(=O)Cl)C1
InChIInChI=1S/C13H16ClNO5S/c14-21(17,18)10-12-8-15(6-7-19-12)13(16)20-9-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyPNLZWWGBUHSCDJ-UHFFFAOYSA-N
XLogP1.59
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Benzyl 3-(chlorosulfonyl)pyrrolidine-1-carboxylate
CID 53229936
Benzyl 3-(chlorosulfonyl)azetidine-1-carboxylate
CID 54592994
4-[(2S,3S)-3-phenyloxiran-2-yl]sulfonylmorpholine
CID 71456296
Benzyl 4-(chlorosulfonyl)piperidine-1-carboxylate
CID 21931260
Benzyl 3-[(chlorosulfonyl)methyl]piperidine-1-carboxylate
CID 23000683
benzyl (3S)-3-(chlorosulfonyl)pyrrolidine-1-carboxylate
CID 46946879
benzyl (3R)-3-(chlorosulfonyl)pyrrolidine-1-carboxylate
CID 46946880
Benzyl 4-((chlorosulfonyl)methyl)piperidine-1-carboxylate
CID 50988934
Benzyl 3-(chlorosulfonyl)piperidine-1-carboxylate
CID 54592806
Benzyl 3-(methanesulfonyloxy)azetidine-1-carboxylate
CID 54594194
Benzyl 4-(ethenesulfonyl)piperazine-1-carboxylate
CID 66698098
Sodium 1-[(benzyloxy)carbonyl]piperidine-4-sulfinate
CID 124203224

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(chlorosulfonylmethyl)morpholine-4-carboxylate?
The IUPAC name of benzyl 2-(chlorosulfonylmethyl)morpholine-4-carboxylate (CID 119030847) is benzyl 2-(chlorosulfonylmethyl)morpholine-4-carboxylate.
What is the SMILES notation for benzyl 2-(chlorosulfonylmethyl)morpholine-4-carboxylate?
The canonical SMILES for benzyl 2-(chlorosulfonylmethyl)morpholine-4-carboxylate is O=C(OCc1ccccc1)N1CCOC(CS(=O)(=O)Cl)C1.
What is the InChIKey of benzyl 2-(chlorosulfonylmethyl)morpholine-4-carboxylate?
The InChIKey is PNLZWWGBUHSCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO5S/c14-21(17,18)10-12-8-15(6-7-19-12)13(16)20-9-11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of benzyl 2-(chlorosulfonylmethyl)morpholine-4-carboxylate?
benzyl 2-(chlorosulfonylmethyl)morpholine-4-carboxylate has a molecular weight of 333.79 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(chlorosulfonylmethyl)morpholine-4-carboxylate is sourced from PubChem (CID 119030847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).