N-benzyl-3-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide

C26H23NO4S — CID 134148162

IUPACN-benzyl-3-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C26H23NO4S/c1-30-25-13-8-14-26(19-25)32(28,29)27(20-21-9-4-2-5-10-21)22-15-17-24(18-16-22)31-23-11-6-3-7-12-23/h2-19H,20H2,1H3
InChIKeyJKEDBSFCSXLTKC-UHFFFAOYSA-N
MW445.54 g/mol
LogP5.88
Rot. Bonds8

About N-benzyl-3-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide

N-benzyl-3-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide (PubChem CID 134148162) has the molecular formula C26H23NO4S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-benzyl-3-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide
PubChem CID134148162
Molecular FormulaC26H23NO4S
Molecular Weight445.54 g/mol
Exact Mass445.13
IUPAC NameN-benzyl-3-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C26H23NO4S/c1-30-25-13-8-14-26(19-25)32(28,29)27(20-21-9-4-2-5-10-21)22-15-17-24(18-16-22)31-23-11-6-3-7-12-23/h2-19H,20H2,1H3
InChIKeyJKEDBSFCSXLTKC-UHFFFAOYSA-N
XLogP5.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide?
The IUPAC name of N-benzyl-3-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide (CID 134148162) is N-benzyl-3-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-3-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-3-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide is COc1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of N-benzyl-3-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide?
The InChIKey is JKEDBSFCSXLTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4S/c1-30-25-13-8-14-26(19-25)32(28,29)27(20-21-9-4-2-5-10-21)22-15-17-24(18-16-22)31-23-11-6-3-7-12-23/h2-19H,20H2,1H3.
What are the key properties of N-benzyl-3-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide?
N-benzyl-3-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide has a molecular weight of 445.54 g/mol, XLogP of 5.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methoxy-N-(4-phenoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 134148162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).