N-(2-hydroxy-2-thiophen-2-ylethyl)-2,4,6-trimethylbenzenesulfonamide

C15H19NO3S2 — CID 90500302

IUPACN-(2-hydroxy-2-thiophen-2-ylethyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(O)c2cccs2)c(C)c1
InChIInChI=1S/C15H19NO3S2/c1-10-7-11(2)15(12(3)8-10)21(18,19)16-9-13(17)14-5-4-6-20-14/h4-8,13,16-17H,9H2,1-3H3
InChIKeyQMMGJUPOZVUFSM-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.69
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-2-ylethyl)-2,4,6-trimethylbenzenesulfonamide

N-(2-hydroxy-2-thiophen-2-ylethyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 90500302) has the molecular formula C15H19NO3S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylethyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylethyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID90500302
Molecular FormulaC15H19NO3S2
Molecular Weight325.46 g/mol
Exact Mass325.08
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylethyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(O)c2cccs2)c(C)c1
InChIInChI=1S/C15H19NO3S2/c1-10-7-11(2)15(12(3)8-10)21(18,19)16-9-13(17)14-5-4-6-20-14/h4-8,13,16-17H,9H2,1-3H3
InChIKeyQMMGJUPOZVUFSM-UHFFFAOYSA-N
XLogP2.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110663305
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide
CID 90524165
2,4,6-trimethyl-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193478
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-2,4,6-trimethylbenzenesulfonamide
CID 41193669
2,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 31463096
N-(2-hydroxy-2-thiophen-2-ylethyl)-5-methylthiophene-2-sulfonamide
CID 90500280
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3,4-dimethoxybenzenesulfonamide
CID 95967218
N-(2-hydroxy-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzenesulfonamide
CID 110663309
N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide
CID 103835154
N-(2-amino-3-hydroxybutyl)-2,4,6-trimethylbenzenesulfonamide
CID 64540008
3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide
CID 90500313
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 121179898

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-2,4,6-trimethylbenzenesulfonamide (CID 90500302) is N-(2-hydroxy-2-thiophen-2-ylethyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylethyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylethyl)-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCC(O)c2cccs2)c(C)c1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylethyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is QMMGJUPOZVUFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S2/c1-10-7-11(2)15(12(3)8-10)21(18,19)16-9-13(17)14-5-4-6-20-14/h4-8,13,16-17H,9H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylethyl)-2,4,6-trimethylbenzenesulfonamide?
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylethyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 90500302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).