benzyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate

C11H14ClNO4S — CID 130236382

IUPACbenzyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate
SMILESC[C@H](CS(=O)(=O)Cl)NC(=O)OCc1ccccc1
InChIInChI=1S/C11H14ClNO4S/c1-9(8-18(12,15)16)13-11(14)17-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyNIHFPICSMSDBCI-SECBINFHSA-N
MW291.76 g/mol
LogP1.87
Rot. Bonds5

About benzyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate

benzyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate (PubChem CID 130236382) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is benzyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate
PubChem CID130236382
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Namebenzyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate
SMILESC[C@H](CS(=O)(=O)Cl)NC(=O)OCc1ccccc1
InChIInChI=1S/C11H14ClNO4S/c1-9(8-18(12,15)16)13-11(14)17-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyNIHFPICSMSDBCI-SECBINFHSA-N
XLogP1.87
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.87
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-chlorosulfonylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate (CID 130236382) is benzyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate is C[C@H](CS(=O)(=O)Cl)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate?
The InChIKey is NIHFPICSMSDBCI-SECBINFHSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-9(8-18(12,15)16)13-11(14)17-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of benzyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate?
benzyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate has a molecular weight of 291.76 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate is sourced from PubChem (CID 130236382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).