N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-2-sulfonamide

C14H16N2O2S — CID 101377414

IUPACN-[(1S)-1-(4-methylphenyl)ethyl]pyridine-2-sulfonamide
SMILESCc1ccc([C@H](C)NS(=O)(=O)c2ccccn2)cc1
InChIInChI=1S/C14H16N2O2S/c1-11-6-8-13(9-7-11)12(2)16-19(17,18)14-5-3-4-10-15-14/h3-10,12,16H,1-2H3/t12-/m0/s1
InChIKeyYIGNRLBEEQYQNX-LBPRGKRZSA-N
MW276.36 g/mol
LogP2.43
Rot. Bonds4

About N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-2-sulfonamide

N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-2-sulfonamide (PubChem CID 101377414) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylphenyl)ethyl]pyridine-2-sulfonamide
PubChem CID101377414
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[(1S)-1-(4-methylphenyl)ethyl]pyridine-2-sulfonamide
SMILESCc1ccc([C@H](C)NS(=O)(=O)c2ccccn2)cc1
InChIInChI=1S/C14H16N2O2S/c1-11-6-8-13(9-7-11)12(2)16-19(17,18)14-5-3-4-10-15-14/h3-10,12,16H,1-2H3/t12-/m0/s1
InChIKeyYIGNRLBEEQYQNX-LBPRGKRZSA-N
XLogP2.43
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.43
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-[(1S)-1-naphthalen-1-ylethyl]pyridine-2-sulfonamide
CID 11289932
(2S)-2-(pyridin-2-ylsulfonylamino)propanoic acid
CID 122069786
1,5-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrazole-4-sulfonamide
CID 19680850
N-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide
CID 81357180
N-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide
CID 135004649
N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide
CID 81355389
5-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-2-sulfonamide
CID 106022983
N-[(1R)-1-phenylpentyl]pyridine-2-sulfonamide
CID 101377427
2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide
CID 107864042
3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 61125345
3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 81259142

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-2-sulfonamide?
The IUPAC name of N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-2-sulfonamide (CID 101377414) is N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-2-sulfonamide?
The canonical SMILES for N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-2-sulfonamide is Cc1ccc([C@H](C)NS(=O)(=O)c2ccccn2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-2-sulfonamide?
The InChIKey is YIGNRLBEEQYQNX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-11-6-8-13(9-7-11)12(2)16-19(17,18)14-5-3-4-10-15-14/h3-10,12,16H,1-2H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-2-sulfonamide?
N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-2-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-2-sulfonamide is sourced from PubChem (CID 101377414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).