N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide

C16H21NO3S2 — CID 90524165

IUPACN-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(O)c2cccs2)c(C)c1
InChIInChI=1S/C16H21NO3S2/c1-11-9-12(2)16(13(3)10-11)22(19,20)17-7-6-14(18)15-5-4-8-21-15/h4-5,8-10,14,17-18H,6-7H2,1-3H3
InChIKeyRKNAARUHXCVZEB-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.08
Rot. Bonds6

About N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide

N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 90524165) has the molecular formula C16H21NO3S2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID90524165
Molecular FormulaC16H21NO3S2
Molecular Weight339.48 g/mol
Exact Mass339.10
IUPAC NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(O)c2cccs2)c(C)c1
InChIInChI=1S/C16H21NO3S2/c1-11-9-12(2)16(13(3)10-11)22(19,20)17-7-6-14(18)15-5-4-8-21-15/h4-5,8-10,14,17-18H,6-7H2,1-3H3
InChIKeyRKNAARUHXCVZEB-UHFFFAOYSA-N
XLogP3.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylethyl)-2,4,6-trimethylbenzenesulfonamide
CID 90500302
N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110663305
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 90524166
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-methoxybenzenesulfonamide
CID 90524151
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methoxybenzenesulfonamide
CID 90524150
N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-methoxybenzenesulfonamide
CID 90524149
(2S)-2-hydroxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid
CID 104933998
N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 90524247
2,4,6-trimethyl-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193478
N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide
CID 103876049
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

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide (CID 90524165) is N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCCC(O)c2cccs2)c(C)c1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is RKNAARUHXCVZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S2/c1-11-9-12(2)16(13(3)10-11)22(19,20)17-7-6-14(18)15-5-4-8-21-15/h4-5,8-10,14,17-18H,6-7H2,1-3H3.
What are the key properties of N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide?
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 339.48 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 90524165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).