N-ethyl-N-phenylmethanesulfonamide

C9H13NO2S — CID 822845

IUPACN-ethyl-N-phenylmethanesulfonamide
SMILESCCN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C9H13NO2S/c1-3-10(13(2,11)12)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChIKeyMFRPSQUJLQLXJD-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.47
Rot. Bonds3

About N-ethyl-N-phenylmethanesulfonamide

N-ethyl-N-phenylmethanesulfonamide (PubChem CID 822845) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is N-ethyl-N-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-phenylmethanesulfonamide
PubChem CID822845
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC NameN-ethyl-N-phenylmethanesulfonamide
SMILESCCN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C9H13NO2S/c1-3-10(13(2,11)12)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChIKeyMFRPSQUJLQLXJD-UHFFFAOYSA-N
XLogP1.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenylmethanesulfonamide?
The IUPAC name of N-ethyl-N-phenylmethanesulfonamide (CID 822845) is N-ethyl-N-phenylmethanesulfonamide.
What is the SMILES notation for N-ethyl-N-phenylmethanesulfonamide?
The canonical SMILES for N-ethyl-N-phenylmethanesulfonamide is CCN(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-phenylmethanesulfonamide?
The InChIKey is MFRPSQUJLQLXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-3-10(13(2,11)12)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3.
What are the key properties of N-ethyl-N-phenylmethanesulfonamide?
N-ethyl-N-phenylmethanesulfonamide has a molecular weight of 199.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenylmethanesulfonamide is sourced from PubChem (CID 822845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).