2-methoxy-3-methyl-N-phenylbenzenesulfinamide

C14H15NO2S — CID 21135236

IUPAC2-methoxy-3-methyl-N-phenylbenzenesulfinamide
SMILESCOc1c(C)cccc1S(=O)Nc1ccccc1
InChIInChI=1S/C14H15NO2S/c1-11-7-6-10-13(14(11)17-2)18(16)15-12-8-4-3-5-9-12/h3-10,15H,1-2H3
InChIKeyKRMPAOCLLVDWOG-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.14
Rot. Bonds4

About 2-methoxy-3-methyl-N-phenylbenzenesulfinamide

2-methoxy-3-methyl-N-phenylbenzenesulfinamide (PubChem CID 21135236) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-methoxy-3-methyl-N-phenylbenzenesulfinamide.

Molecular Properties

Compound Name2-methoxy-3-methyl-N-phenylbenzenesulfinamide
PubChem CID21135236
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-methoxy-3-methyl-N-phenylbenzenesulfinamide
SMILESCOc1c(C)cccc1S(=O)Nc1ccccc1
InChIInChI=1S/C14H15NO2S/c1-11-7-6-10-13(14(11)17-2)18(16)15-12-8-4-3-5-9-12/h3-10,15H,1-2H3
InChIKeyKRMPAOCLLVDWOG-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-N-phenylbenzenesulfinamide?
The IUPAC name of 2-methoxy-3-methyl-N-phenylbenzenesulfinamide (CID 21135236) is 2-methoxy-3-methyl-N-phenylbenzenesulfinamide.
What is the SMILES notation for 2-methoxy-3-methyl-N-phenylbenzenesulfinamide?
The canonical SMILES for 2-methoxy-3-methyl-N-phenylbenzenesulfinamide is COc1c(C)cccc1S(=O)Nc1ccccc1.
What is the InChIKey of 2-methoxy-3-methyl-N-phenylbenzenesulfinamide?
The InChIKey is KRMPAOCLLVDWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-11-7-6-10-13(14(11)17-2)18(16)15-12-8-4-3-5-9-12/h3-10,15H,1-2H3.
What are the key properties of 2-methoxy-3-methyl-N-phenylbenzenesulfinamide?
2-methoxy-3-methyl-N-phenylbenzenesulfinamide has a molecular weight of 261.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-N-phenylbenzenesulfinamide is sourced from PubChem (CID 21135236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).