4-methyl-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzenesulfonamide

C15H18N2O2S — CID 101389487

IUPAC4-methyl-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(C)n2)cc1
InChIInChI=1S/C15H18N2O2S/c1-11-7-9-14(10-8-11)20(18,19)17-13(3)15-6-4-5-12(2)16-15/h4-10,13,17H,1-3H3/t13-/m0/s1
InChIKeyZARUKOYCQHKFOR-ZDUSSCGKSA-N
MW290.39 g/mol
LogP2.74
Rot. Bonds4

About 4-methyl-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzenesulfonamide

4-methyl-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzenesulfonamide (PubChem CID 101389487) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-methyl-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzenesulfonamide
PubChem CID101389487
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-methyl-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(C)n2)cc1
InChIInChI=1S/C15H18N2O2S/c1-11-7-9-14(10-8-11)20(18,19)17-13(3)15-6-4-5-12(2)16-15/h4-10,13,17H,1-3H3/t13-/m0/s1
InChIKeyZARUKOYCQHKFOR-ZDUSSCGKSA-N
XLogP2.74
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
N-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide
CID 135004649
N-[(1R)-1-(6-bromo-2-pyridinyl)-2,2-dimethylpropyl]-4-methylbenzenesulfonamide
CID 101389491
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)pentanamide
CID 43016745
N-[1-(6-methyl-2-pyridinyl)ethyl]propan-2-amine
CID 130315705
N-[1-(2,6-dichlorophenyl)-2-(6-methyl-2-pyridinyl)ethyl]-4-methylbenzenesulfonamide
CID 51031898
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
4-methyl-N-[(2S)-1-oxopropan-2-yl]benzenesulfonamide
CID 18606138
N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11637441
4-methyl-N-[(2S)-1-[[6-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propyl]sulfanylmethyl]-2-pyridinyl]methylsulfanyl]propan-2-yl]benzenesulfonamide
CID 132839162
4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 71816821
4-methyl-N'-propan-2-ylbenzenesulfonohydrazide
CID 14470803

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzenesulfonamide (CID 101389487) is 4-methyl-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(C)n2)cc1.
What is the InChIKey of 4-methyl-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzenesulfonamide?
The InChIKey is ZARUKOYCQHKFOR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-7-9-14(10-8-11)20(18,19)17-13(3)15-6-4-5-12(2)16-15/h4-10,13,17H,1-3H3/t13-/m0/s1.
What are the key properties of 4-methyl-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzenesulfonamide?
4-methyl-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 101389487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).