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

C26H23NO3S — CID 169372382

IUPAC4-methyl-N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3cccc(OCc4ccccc4)c3)cc2)cc1
InChIInChI=1S/C26H23NO3S/c1-20-10-16-26(17-11-20)31(28,29)27-24-14-12-22(13-15-24)23-8-5-9-25(18-23)30-19-21-6-3-2-4-7-21/h2-18,27H,19H2,1H3
InChIKeyCRGUHQDZEGMBEN-UHFFFAOYSA-N
MW429.54 g/mol
LogP6.04
Rot. Bonds7

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

4-methyl-N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide (PubChem CID 169372382) has the molecular formula C26H23NO3S and a molecular weight of 429.54 g/mol. Its IUPAC name is 4-methyl-N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide
PubChem CID169372382
Molecular FormulaC26H23NO3S
Molecular Weight429.54 g/mol
Exact Mass429.14
IUPAC Name4-methyl-N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3cccc(OCc4ccccc4)c3)cc2)cc1
InChIInChI=1S/C26H23NO3S/c1-20-10-16-26(17-11-20)31(28,29)27-24-14-12-22(13-15-24)23-8-5-9-25(18-23)30-19-21-6-3-2-4-7-21/h2-18,27H,19H2,1H3
InChIKeyCRGUHQDZEGMBEN-UHFFFAOYSA-N
XLogP6.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.54
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide
CID 70194773
4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6024079
4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 1379163
3-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 2887128
N-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide
CID 169372191
4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 3334756
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
5-methyl-2-[[4-[(3-phenylmethoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 142866107
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 166627714
4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide
CID 169370090
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide
CID 167965219

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide (CID 169372382) is 4-methyl-N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-c3cccc(OCc4ccccc4)c3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide?
The InChIKey is CRGUHQDZEGMBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3S/c1-20-10-16-26(17-11-20)31(28,29)27-24-14-12-22(13-15-24)23-8-5-9-25(18-23)30-19-21-6-3-2-4-7-21/h2-18,27H,19H2,1H3.
What are the key properties of 4-methyl-N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide?
4-methyl-N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide has a molecular weight of 429.54 g/mol, XLogP of 6.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 169372382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).