N-[(1R)-1-phenylethyl]ethenesulfonamide

C10H13NO2S — CID 53240216

IUPACN-[(1R)-1-phenylethyl]ethenesulfonamide
SMILESC=CS(=O)(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C10H13NO2S/c1-3-14(12,13)11-9(2)10-7-5-4-6-8-10/h3-9,11H,1H2,2H3/t9-/m1/s1
InChIKeyPXZOXOJEZLNUFJ-SECBINFHSA-N
MW211.29 g/mol
LogP1.81
Rot. Bonds4

About N-[(1R)-1-phenylethyl]ethenesulfonamide

N-[(1R)-1-phenylethyl]ethenesulfonamide (PubChem CID 53240216) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]ethenesulfonamide
PubChem CID53240216
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC NameN-[(1R)-1-phenylethyl]ethenesulfonamide
SMILESC=CS(=O)(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C10H13NO2S/c1-3-14(12,13)11-9(2)10-7-5-4-6-8-10/h3-9,11H,1H2,2H3/t9-/m1/s1
InChIKeyPXZOXOJEZLNUFJ-SECBINFHSA-N
XLogP1.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]ethenesulfonamide?
The IUPAC name of N-[(1R)-1-phenylethyl]ethenesulfonamide (CID 53240216) is N-[(1R)-1-phenylethyl]ethenesulfonamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]ethenesulfonamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]ethenesulfonamide is C=CS(=O)(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]ethenesulfonamide?
The InChIKey is PXZOXOJEZLNUFJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-3-14(12,13)11-9(2)10-7-5-4-6-8-10/h3-9,11H,1H2,2H3/t9-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]ethenesulfonamide?
N-[(1R)-1-phenylethyl]ethenesulfonamide has a molecular weight of 211.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]ethenesulfonamide is sourced from PubChem (CID 53240216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).