N-(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide

C16H19NO3S — CID 67638767

IUPACN-(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide
SMILESCCc1cccc(NS(C)(=O)=O)c1OCc1ccccc1
InChIInChI=1S/C16H19NO3S/c1-3-14-10-7-11-15(17-21(2,18)19)16(14)20-12-13-8-5-4-6-9-13/h4-11,17H,3,12H2,1-2H3
InChIKeyLESCUUYWNXEBIM-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.20
Rot. Bonds6

About N-(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide

N-(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide (PubChem CID 67638767) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide
PubChem CID67638767
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide
SMILESCCc1cccc(NS(C)(=O)=O)c1OCc1ccccc1
InChIInChI=1S/C16H19NO3S/c1-3-14-10-7-11-15(17-21(2,18)19)16(14)20-12-13-8-5-4-6-9-13/h4-11,17H,3,12H2,1-2H3
InChIKeyLESCUUYWNXEBIM-UHFFFAOYSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide?
The IUPAC name of N-(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide (CID 67638767) is N-(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide is CCc1cccc(NS(C)(=O)=O)c1OCc1ccccc1.
What is the InChIKey of N-(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide?
The InChIKey is LESCUUYWNXEBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-3-14-10-7-11-15(17-21(2,18)19)16(14)20-12-13-8-5-4-6-9-13/h4-11,17H,3,12H2,1-2H3.
What are the key properties of N-(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide?
N-(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-phenylmethoxyphenyl)methanesulfonamide is sourced from PubChem (CID 67638767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).