N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide

C16H19NO3S — CID 64795077

IUPACN-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(CO)cc2)c(C)c1
InChIInChI=1S/C16H19NO3S/c1-11-8-12(2)16(13(3)9-11)21(19,20)17-15-6-4-14(10-18)5-7-15/h4-9,17-18H,10H2,1-3H3
InChIKeyZDMBUZDQBDRISA-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.90
Rot. Bonds4

About N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide

N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 64795077) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID64795077
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(CO)cc2)c(C)c1
InChIInChI=1S/C16H19NO3S/c1-11-8-12(2)16(13(3)9-11)21(19,20)17-15-6-4-14(10-18)5-7-15/h4-9,17-18H,10H2,1-3H3
InChIKeyZDMBUZDQBDRISA-UHFFFAOYSA-N
XLogP2.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trichloro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794514
2,4,6-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794886
N-[4-(hydroxymethyl)phenyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 4677892
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 1087335
propyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 2227574
N-[4-(hydroxymethyl)phenyl]-4-methyl-2-nitrobenzenesulfonamide
CID 90841659
4-fluoro-N-[3-(hydroxymethyl)phenyl]-2,6-dimethylbenzenesulfonamide
CID 107326857
N-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 24663110
2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011825
[4-(hydroxymethyl)phenyl]sulfamic acid
CID 141443136
N-[(2R)-butan-2-yl]-1-[4-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 92895402
4-[[4-(hydroxymethyl)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 115778042

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide (CID 64795077) is N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(CO)cc2)c(C)c1.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is ZDMBUZDQBDRISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-11-8-12(2)16(13(3)9-11)21(19,20)17-15-6-4-14(10-18)5-7-15/h4-9,17-18H,10H2,1-3H3.
What are the key properties of N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 64795077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).