N-(3-hydroxyphenyl)-N-methyl-4-(3-methylphenyl)benzenesulfonamide

C20H19NO3S — CID 73349502

IUPACN-(3-hydroxyphenyl)-N-methyl-4-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(-c2ccc(S(=O)(=O)N(C)c3cccc(O)c3)cc2)c1
InChIInChI=1S/C20H19NO3S/c1-15-5-3-6-17(13-15)16-9-11-20(12-10-16)25(23,24)21(2)18-7-4-8-19(22)14-18/h3-14,22H,1-2H3
InChIKeyBIAIGWIQNONMAW-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.19
Rot. Bonds4

About N-(3-hydroxyphenyl)-N-methyl-4-(3-methylphenyl)benzenesulfonamide

N-(3-hydroxyphenyl)-N-methyl-4-(3-methylphenyl)benzenesulfonamide (PubChem CID 73349502) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-N-methyl-4-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-N-methyl-4-(3-methylphenyl)benzenesulfonamide
PubChem CID73349502
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC NameN-(3-hydroxyphenyl)-N-methyl-4-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(-c2ccc(S(=O)(=O)N(C)c3cccc(O)c3)cc2)c1
InChIInChI=1S/C20H19NO3S/c1-15-5-3-6-17(13-15)16-9-11-20(12-10-16)25(23,24)21(2)18-7-4-8-19(22)14-18/h3-14,22H,1-2H3
InChIKeyBIAIGWIQNONMAW-UHFFFAOYSA-N
XLogP4.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-N-methyl-4-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of N-(3-hydroxyphenyl)-N-methyl-4-(3-methylphenyl)benzenesulfonamide (CID 73349502) is N-(3-hydroxyphenyl)-N-methyl-4-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-N-methyl-4-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-(3-hydroxyphenyl)-N-methyl-4-(3-methylphenyl)benzenesulfonamide is Cc1cccc(-c2ccc(S(=O)(=O)N(C)c3cccc(O)c3)cc2)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-N-methyl-4-(3-methylphenyl)benzenesulfonamide?
The InChIKey is BIAIGWIQNONMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-15-5-3-6-17(13-15)16-9-11-20(12-10-16)25(23,24)21(2)18-7-4-8-19(22)14-18/h3-14,22H,1-2H3.
What are the key properties of N-(3-hydroxyphenyl)-N-methyl-4-(3-methylphenyl)benzenesulfonamide?
N-(3-hydroxyphenyl)-N-methyl-4-(3-methylphenyl)benzenesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-N-methyl-4-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 73349502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).