2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide

C22H31NO3S — CID 175985841

IUPAC2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1
InChIInChI=1S/C22H31NO3S/c1-14-8-9-19(27(23,25)26)16(10-14)11-15-12-17(21(2,3)4)20(24)18(13-15)22(5,6)7/h8-10,12-13,24H,11H2,1-7H3,(H2,23,25,26)
InChIKeyJWIRJBICEUFGCI-UHFFFAOYSA-N
MW389.56 g/mol
LogP4.53
Rot. Bonds3

About 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide

2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 175985841) has the molecular formula C22H31NO3S and a molecular weight of 389.56 g/mol. Its IUPAC name is 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID175985841
Molecular FormulaC22H31NO3S
Molecular Weight389.56 g/mol
Exact Mass389.20
IUPAC Name2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1
InChIInChI=1S/C22H31NO3S/c1-14-8-9-19(27(23,25)26)16(10-14)11-15-12-17(21(2,3)4)20(24)18(13-15)22(5,6)7/h8-10,12-13,24H,11H2,1-7H3,(H2,23,25,26)
InChIKeyJWIRJBICEUFGCI-UHFFFAOYSA-N
XLogP4.53
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.56
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide
CID 175985871
2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol
CID 3480834
2-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 67168218
4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]benzene-1,2,3-triol
CID 139747892
3-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenyl]-2-methylprop-2-enoic acid
CID 57052682
2-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 175803772
2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 10894744
2-but-3-enyl-4-methylbenzenesulfonamide
CID 175817922
4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]benzene-1,2-diol
CID 5239155
4-[[3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,4,6-tris(methylsulfonyl)phenyl]methyl]-2,6-ditert-butylphenol
CID 87994100
2,6-ditert-butyl-4-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]phenol
CID 23046350
2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide
CID 67901778

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide (CID 175985841) is 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1.
What is the InChIKey of 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is JWIRJBICEUFGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO3S/c1-14-8-9-19(27(23,25)26)16(10-14)11-15-12-17(21(2,3)4)20(24)18(13-15)22(5,6)7/h8-10,12-13,24H,11H2,1-7H3,(H2,23,25,26).
What are the key properties of 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide?
2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 389.56 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 175985841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).