N-benzyl-2-methoxy-N-phenylethanesulfonamide

C16H19NO3S — CID 110300125

IUPACN-benzyl-2-methoxy-N-phenylethanesulfonamide
SMILESCOCCS(=O)(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO3S/c1-20-12-13-21(18,19)17(16-10-6-3-7-11-16)14-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3
InChIKeyRACQVBJKXBRSHM-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.67
Rot. Bonds7

About N-benzyl-2-methoxy-N-phenylethanesulfonamide

N-benzyl-2-methoxy-N-phenylethanesulfonamide (PubChem CID 110300125) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-benzyl-2-methoxy-N-phenylethanesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-methoxy-N-phenylethanesulfonamide
PubChem CID110300125
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-benzyl-2-methoxy-N-phenylethanesulfonamide
SMILESCOCCS(=O)(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO3S/c1-20-12-13-21(18,19)17(16-10-6-3-7-11-16)14-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3
InChIKeyRACQVBJKXBRSHM-UHFFFAOYSA-N
XLogP2.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methoxy-N-phenylethanesulfonamide?
The IUPAC name of N-benzyl-2-methoxy-N-phenylethanesulfonamide (CID 110300125) is N-benzyl-2-methoxy-N-phenylethanesulfonamide.
What is the SMILES notation for N-benzyl-2-methoxy-N-phenylethanesulfonamide?
The canonical SMILES for N-benzyl-2-methoxy-N-phenylethanesulfonamide is COCCS(=O)(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-methoxy-N-phenylethanesulfonamide?
The InChIKey is RACQVBJKXBRSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-20-12-13-21(18,19)17(16-10-6-3-7-11-16)14-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3.
What are the key properties of N-benzyl-2-methoxy-N-phenylethanesulfonamide?
N-benzyl-2-methoxy-N-phenylethanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methoxy-N-phenylethanesulfonamide is sourced from PubChem (CID 110300125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).