4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide

C14H16N2O2S — CID 40664770

IUPAC4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C)c2ccccn2)cc1
InChIInChI=1S/C14H16N2O2S/c1-11-6-8-13(9-7-11)19(17,18)16-12(2)14-5-3-4-10-15-14/h3-10,12,16H,1-2H3/t12-/m1/s1
InChIKeyPAEVJKHOTNOYIJ-GFCCVEGCSA-N
MW276.36 g/mol
LogP2.43
Rot. Bonds4

About 4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide

4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide (PubChem CID 40664770) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
PubChem CID40664770
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C)c2ccccn2)cc1
InChIInChI=1S/C14H16N2O2S/c1-11-6-8-13(9-7-11)19(17,18)16-12(2)14-5-3-4-10-15-14/h3-10,12,16H,1-2H3/t12-/m1/s1
InChIKeyPAEVJKHOTNOYIJ-GFCCVEGCSA-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-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide
CID 92520286
N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide
CID 2459314
3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46452389
ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate
CID 4878822
3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41084343
4-methyl-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzenesulfonamide
CID 101389487
6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 114613153
6-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 43524541
3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 18086450
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
4-cyclopentyloxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 110724466
N-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 26943769

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide (CID 40664770) is 4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](C)c2ccccn2)cc1.
What is the InChIKey of 4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide?
The InChIKey is PAEVJKHOTNOYIJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-11-6-8-13(9-7-11)19(17,18)16-12(2)14-5-3-4-10-15-14/h3-10,12,16H,1-2H3/t12-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide?
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide 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 4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide is sourced from PubChem (CID 40664770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).