2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide

C16H19NO3S — CID 175985871

IUPAC2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(Cc2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C16H19NO3S/c1-10-4-5-15(21(17,19)20)14(6-10)9-13-7-11(2)16(18)12(3)8-13/h4-8,18H,9H2,1-3H3,(H2,17,19,20)
InChIKeyNVRXSSFLHUELAE-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.56
Rot. Bonds3

About 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide

2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 175985871) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID175985871
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(Cc2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C16H19NO3S/c1-10-4-5-15(21(17,19)20)14(6-10)9-13-7-11(2)16(18)12(3)8-13/h4-8,18H,9H2,1-3H3,(H2,17,19,20)
InChIKeyNVRXSSFLHUELAE-UHFFFAOYSA-N
XLogP2.56
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 175985841
2-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 67168218
2-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 175803772
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 21282731
2-but-3-enyl-4-methylbenzenesulfonamide
CID 175817922
4-methyl-2-[(3,4,5-trimethylphenyl)methyl]phenol
CID 90160310
2-ethyl-6-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylphenol
CID 22011679
2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide
CID 67901778
2,6-bis[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol
CID 21344476
4-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 18629047
4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
CID 22492711
4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 22278094

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide (CID 175985871) is 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)c(Cc2cc(C)c(O)c(C)c2)c1.
What is the InChIKey of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is NVRXSSFLHUELAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-10-4-5-15(21(17,19)20)14(6-10)9-13-7-11(2)16(18)12(3)8-13/h4-8,18H,9H2,1-3H3,(H2,17,19,20).
What are the key properties of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide?
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 175985871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).