N-[[5-[(1R)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide

C18H24N2O5S — CID 97258163

IUPACN-[[5-[(1R)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2ccc([C@@H](C)O)c(C)n2)cc1OC
InChIInChI=1S/C18H24N2O5S/c1-11-8-16(24-4)17(25-5)9-18(11)26(22,23)19-10-14-6-7-15(13(3)21)12(2)20-14/h6-9,13,19,21H,10H2,1-5H3/t13-/m1/s1
InChIKeyIHILUQRSPHCMGJ-CYBMUJFWSA-N
MW380.47 g/mol
LogP2.25
Rot. Bonds7

About N-[[5-[(1R)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide

N-[[5-[(1R)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide (PubChem CID 97258163) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[[5-[(1R)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[5-[(1R)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide
PubChem CID97258163
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC NameN-[[5-[(1R)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2ccc([C@@H](C)O)c(C)n2)cc1OC
InChIInChI=1S/C18H24N2O5S/c1-11-8-16(24-4)17(25-5)9-18(11)26(22,23)19-10-14-6-7-15(13(3)21)12(2)20-14/h6-9,13,19,21H,10H2,1-5H3/t13-/m1/s1
InChIKeyIHILUQRSPHCMGJ-CYBMUJFWSA-N
XLogP2.25
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 86825312
4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302766
N-[(2S)-2-hydroxypropyl]-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 39730608
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 94633814
N-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 51860924
N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119960117
N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35291236
N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 35304540
4-methoxy-2-methyl-5-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 100530456
4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605995
4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 110758856
2-methoxy-4,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 110714475

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1R)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[[5-[(1R)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide (CID 97258163) is N-[[5-[(1R)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[[5-[(1R)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[[5-[(1R)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCc2ccc([C@@H](C)O)c(C)n2)cc1OC.
What is the InChIKey of N-[[5-[(1R)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide?
The InChIKey is IHILUQRSPHCMGJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-11-8-16(24-4)17(25-5)9-18(11)26(22,23)19-10-14-6-7-15(13(3)21)12(2)20-14/h6-9,13,19,21H,10H2,1-5H3/t13-/m1/s1.
What are the key properties of N-[[5-[(1R)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide?
N-[[5-[(1R)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1R)-1-hydroxyethyl]-6-methyl-2-pyridinyl]methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 97258163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).