benzyl N-[(2R)-1-chlorosulfonyl-3-(2-fluorophenyl)propan-2-yl]carbamate

C17H17ClFNO4S — CID 58948530

IUPACbenzyl N-[(2R)-1-chlorosulfonyl-3-(2-fluorophenyl)propan-2-yl]carbamate
SMILESO=C(N[C@H](Cc1ccccc1F)CS(=O)(=O)Cl)OCc1ccccc1
InChIInChI=1S/C17H17ClFNO4S/c18-25(22,23)12-15(10-14-8-4-5-9-16(14)19)20-17(21)24-11-13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,20,21)/t15-/m1/s1
InChIKeyWWBQOCGNTLORJL-OAHLLOKOSA-N
MW385.84 g/mol
LogP3.23
Rot. Bonds7

About benzyl N-[(2R)-1-chlorosulfonyl-3-(2-fluorophenyl)propan-2-yl]carbamate

benzyl N-[(2R)-1-chlorosulfonyl-3-(2-fluorophenyl)propan-2-yl]carbamate (PubChem CID 58948530) has the molecular formula C17H17ClFNO4S and a molecular weight of 385.84 g/mol. Its IUPAC name is benzyl N-[(2R)-1-chlorosulfonyl-3-(2-fluorophenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-1-chlorosulfonyl-3-(2-fluorophenyl)propan-2-yl]carbamate
PubChem CID58948530
Molecular FormulaC17H17ClFNO4S
Molecular Weight385.84 g/mol
Exact Mass385.06
IUPAC Namebenzyl N-[(2R)-1-chlorosulfonyl-3-(2-fluorophenyl)propan-2-yl]carbamate
SMILESO=C(N[C@H](Cc1ccccc1F)CS(=O)(=O)Cl)OCc1ccccc1
InChIInChI=1S/C17H17ClFNO4S/c18-25(22,23)12-15(10-14-8-4-5-9-16(14)19)20-17(21)24-11-13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,20,21)/t15-/m1/s1
InChIKeyWWBQOCGNTLORJL-OAHLLOKOSA-N
XLogP3.23
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.84
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-1-chlorosulfonyl-3-(2-fluorophenyl)propan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-1-chlorosulfonyl-3-(2-fluorophenyl)propan-2-yl]carbamate (CID 58948530) is benzyl N-[(2R)-1-chlorosulfonyl-3-(2-fluorophenyl)propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-1-chlorosulfonyl-3-(2-fluorophenyl)propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-1-chlorosulfonyl-3-(2-fluorophenyl)propan-2-yl]carbamate is O=C(N[C@H](Cc1ccccc1F)CS(=O)(=O)Cl)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R)-1-chlorosulfonyl-3-(2-fluorophenyl)propan-2-yl]carbamate?
The InChIKey is WWBQOCGNTLORJL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17ClFNO4S/c18-25(22,23)12-15(10-14-8-4-5-9-16(14)19)20-17(21)24-11-13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,20,21)/t15-/m1/s1.
What are the key properties of benzyl N-[(2R)-1-chlorosulfonyl-3-(2-fluorophenyl)propan-2-yl]carbamate?
benzyl N-[(2R)-1-chlorosulfonyl-3-(2-fluorophenyl)propan-2-yl]carbamate has a molecular weight of 385.84 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-1-chlorosulfonyl-3-(2-fluorophenyl)propan-2-yl]carbamate is sourced from PubChem (CID 58948530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).