2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide

C16H20N2O2S — CID 71954745

IUPAC2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(C)c2cccnc2)cc1C
InChIInChI=1S/C16H20N2O2S/c1-11-8-13(3)16(9-12(11)2)21(19,20)18-14(4)15-6-5-7-17-10-15/h5-10,14,18H,1-4H3
InChIKeyYAVULVLYCCURGN-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.05
Rot. Bonds4

About 2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide

2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide (PubChem CID 71954745) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
PubChem CID71954745
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(C)c2cccnc2)cc1C
InChIInChI=1S/C16H20N2O2S/c1-11-8-13(3)16(9-12(11)2)21(19,20)18-14(4)15-6-5-7-17-10-15/h5-10,14,18H,1-4H3
InChIKeyYAVULVLYCCURGN-UHFFFAOYSA-N
XLogP3.05
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide
CID 47007924
2,4,5-trifluoro-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 95310179
methyl 3-methyl-4-(1-pyridin-3-ylethylsulfamoyl)benzoate
CID 49454216
3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 79885270
2-fluoro-4,5-dimethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 35312001
2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673104
3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 106021295
2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 106021137
2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111106
3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 81258843
3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111104
2-(1-pyridin-3-ylethylsulfamoyl)benzenecarbothioamide
CID 43523803

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide (CID 71954745) is 2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC(C)c2cccnc2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The InChIKey is YAVULVLYCCURGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-8-13(3)16(9-12(11)2)21(19,20)18-14(4)15-6-5-7-17-10-15/h5-10,14,18H,1-4H3.
What are the key properties of 2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide has a molecular weight of 304.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 71954745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).