4-methoxy-2,3-dimethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide

C18H23NO4S — CID 100553033

IUPAC4-methoxy-2,3-dimethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOCc2ccccc2)c(C)c1C
InChIInChI=1S/C18H23NO4S/c1-14-15(2)18(10-9-17(14)22-3)24(20,21)19-11-12-23-13-16-7-5-4-6-8-16/h4-10,19H,11-13H2,1-3H3
InChIKeyVBBHCGVQOQSYFW-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.81
Rot. Bonds8

About 4-methoxy-2,3-dimethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide

4-methoxy-2,3-dimethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide (PubChem CID 100553033) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3-dimethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
PubChem CID100553033
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Name4-methoxy-2,3-dimethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOCc2ccccc2)c(C)c1C
InChIInChI=1S/C18H23NO4S/c1-14-15(2)18(10-9-17(14)22-3)24(20,21)19-11-12-23-13-16-7-5-4-6-8-16/h4-10,19H,11-13H2,1-3H3
InChIKeyVBBHCGVQOQSYFW-UHFFFAOYSA-N
XLogP2.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide
CID 139969441
N-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 95969876
4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide
CID 100550950
4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide
CID 741442
4-ethoxy-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide
CID 15943936
4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
CID 139969428
1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide
CID 3764868
2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1314394
4-methoxy-2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 100546802
N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100668632
N-[3-(azepan-1-yl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100759913
N-benzyl-2-methoxy-4-methylbenzenesulfonamide
CID 801458

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,3-dimethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide (CID 100553033) is 4-methoxy-2,3-dimethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3-dimethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3-dimethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCOCc2ccccc2)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3-dimethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide?
The InChIKey is VBBHCGVQOQSYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-14-15(2)18(10-9-17(14)22-3)24(20,21)19-11-12-23-13-16-7-5-4-6-8-16/h4-10,19H,11-13H2,1-3H3.
What are the key properties of 4-methoxy-2,3-dimethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide?
4-methoxy-2,3-dimethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide is sourced from PubChem (CID 100553033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).