N-(benzenesulfonyl)-N-[(2-methoxy-5-phenylphenyl)methyl]benzenesulfonamide

C26H23NO5S2 — CID 135064174

IUPACN-(benzenesulfonyl)-N-[(2-methoxy-5-phenylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1CN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H23NO5S2/c1-32-26-18-17-22(21-11-5-2-6-12-21)19-23(26)20-27(33(28,29)24-13-7-3-8-14-24)34(30,31)25-15-9-4-10-16-25/h2-19H,20H2,1H3
InChIKeyACTYWSLRLAVDKL-UHFFFAOYSA-N
MW493.61 g/mol
LogP4.94
Rot. Bonds8

About N-(benzenesulfonyl)-N-[(2-methoxy-5-phenylphenyl)methyl]benzenesulfonamide

N-(benzenesulfonyl)-N-[(2-methoxy-5-phenylphenyl)methyl]benzenesulfonamide (PubChem CID 135064174) has the molecular formula C26H23NO5S2 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-[(2-methoxy-5-phenylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-[(2-methoxy-5-phenylphenyl)methyl]benzenesulfonamide
PubChem CID135064174
Molecular FormulaC26H23NO5S2
Molecular Weight493.61 g/mol
Exact Mass493.10
IUPAC NameN-(benzenesulfonyl)-N-[(2-methoxy-5-phenylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1CN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H23NO5S2/c1-32-26-18-17-22(21-11-5-2-6-12-21)19-23(26)20-27(33(28,29)24-13-7-3-8-14-24)34(30,31)25-15-9-4-10-16-25/h2-19H,20H2,1H3
InChIKeyACTYWSLRLAVDKL-UHFFFAOYSA-N
XLogP4.94
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[bis(benzenesulfonyl)amino]methyl]-2-methoxy-5-phenylphenyl]-2,2-dimethylpropanamide
CID 102051292
methyl 3-[(2-methoxy-5-phenylphenyl)methylsulfonyl]benzoate
CID 157359654
N-(benzenesulfonyl)-N-[(3-tert-butyl-2-methoxyphenyl)methyl]benzenesulfonamide
CID 134840619
3-(2-methoxy-5-phenylphenyl)propan-1-amine
CID 170867885
N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 56647729
2-(2-methoxy-5-phenylphenyl)ethanimidamide
CID 91757147
2-(2-methoxy-4-phenylphenyl)acetic acid
CID 23503476
N-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 46022004
1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine
CID 56717548
2-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetic acid
CID 16770686
N-[(3,4-dimethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)-4-phenylbenzenesulfonamide
CID 11202740
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 24719654

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-[(2-methoxy-5-phenylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-(benzenesulfonyl)-N-[(2-methoxy-5-phenylphenyl)methyl]benzenesulfonamide (CID 135064174) is N-(benzenesulfonyl)-N-[(2-methoxy-5-phenylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-[(2-methoxy-5-phenylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-(benzenesulfonyl)-N-[(2-methoxy-5-phenylphenyl)methyl]benzenesulfonamide is COc1ccc(-c2ccccc2)cc1CN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N-[(2-methoxy-5-phenylphenyl)methyl]benzenesulfonamide?
The InChIKey is ACTYWSLRLAVDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5S2/c1-32-26-18-17-22(21-11-5-2-6-12-21)19-23(26)20-27(33(28,29)24-13-7-3-8-14-24)34(30,31)25-15-9-4-10-16-25/h2-19H,20H2,1H3.
What are the key properties of N-(benzenesulfonyl)-N-[(2-methoxy-5-phenylphenyl)methyl]benzenesulfonamide?
N-(benzenesulfonyl)-N-[(2-methoxy-5-phenylphenyl)methyl]benzenesulfonamide has a molecular weight of 493.61 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-[(2-methoxy-5-phenylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 135064174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).