N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide

C25H21NO3S — CID 70194773

IUPACN-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cccc(OCc3ccccc3)c2)cc1)c1ccccc1
InChIInChI=1S/C25H21NO3S/c27-30(28,25-12-5-2-6-13-25)26-23-16-14-21(15-17-23)22-10-7-11-24(18-22)29-19-20-8-3-1-4-9-20/h1-18,26H,19H2
InChIKeyMYZKBVDVSQBIEH-UHFFFAOYSA-N
MW415.51 g/mol
LogP5.73
Rot. Bonds7

About N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide

N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide (PubChem CID 70194773) has the molecular formula C25H21NO3S and a molecular weight of 415.51 g/mol. Its IUPAC name is N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide
PubChem CID70194773
Molecular FormulaC25H21NO3S
Molecular Weight415.51 g/mol
Exact Mass415.12
IUPAC NameN-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cccc(OCc3ccccc3)c2)cc1)c1ccccc1
InChIInChI=1S/C25H21NO3S/c27-30(28,25-12-5-2-6-13-25)26-23-16-14-21(15-17-23)22-10-7-11-24(18-22)29-19-20-8-3-1-4-9-20/h1-18,26H,19H2
InChIKeyMYZKBVDVSQBIEH-UHFFFAOYSA-N
XLogP5.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.51
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide
CID 169372382
3-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 2887128
4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 1379163
4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 3334756
4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6289615
N,3-diphenylbenzenesulfonamide
CID 54513984
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 166627714
N-(4-hydroxy-3-phenylmethoxyphenyl)benzenesulfonamide
CID 134878745
4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6024079
2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide
CID 122187088
N-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide
CID 71390494
4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid
CID 154858217

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide (CID 70194773) is N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-c2cccc(OCc3ccccc3)c2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide?
The InChIKey is MYZKBVDVSQBIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3S/c27-30(28,25-12-5-2-6-13-25)26-23-16-14-21(15-17-23)22-10-7-11-24(18-22)29-19-20-8-3-1-4-9-20/h1-18,26H,19H2.
What are the key properties of N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide?
N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide has a molecular weight of 415.51 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 70194773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).