N-[5-[4-[(1S)-1-ethoxyethyl]phenyl]-2-pyridinyl]methanesulfonamide

C16H20N2O3S — CID 126445500

IUPACN-[5-[4-[(1S)-1-ethoxyethyl]phenyl]-2-pyridinyl]methanesulfonamide
SMILESCCO[C@@H](C)c1ccc(-c2ccc(NS(C)(=O)=O)nc2)cc1
InChIInChI=1S/C16H20N2O3S/c1-4-21-12(2)13-5-7-14(8-6-13)15-9-10-16(17-11-15)18-22(3,19)20/h5-12H,4H2,1-3H3,(H,17,18)/t12-/m0/s1
InChIKeyRNMHFJBHUNBSKI-LBPRGKRZSA-N
MW320.41 g/mol
LogP3.22
Rot. Bonds6

About N-[5-[4-[(1S)-1-ethoxyethyl]phenyl]-2-pyridinyl]methanesulfonamide

N-[5-[4-[(1S)-1-ethoxyethyl]phenyl]-2-pyridinyl]methanesulfonamide (PubChem CID 126445500) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[5-[4-[(1S)-1-ethoxyethyl]phenyl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[4-[(1S)-1-ethoxyethyl]phenyl]-2-pyridinyl]methanesulfonamide
PubChem CID126445500
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[5-[4-[(1S)-1-ethoxyethyl]phenyl]-2-pyridinyl]methanesulfonamide
SMILESCCO[C@@H](C)c1ccc(-c2ccc(NS(C)(=O)=O)nc2)cc1
InChIInChI=1S/C16H20N2O3S/c1-4-21-12(2)13-5-7-14(8-6-13)15-9-10-16(17-11-15)18-22(3,19)20/h5-12H,4H2,1-3H3,(H,17,18)/t12-/m0/s1
InChIKeyRNMHFJBHUNBSKI-LBPRGKRZSA-N
XLogP3.22
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(1S)-1-ethoxyethyl]phenyl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[4-[(1S)-1-ethoxyethyl]phenyl]-2-pyridinyl]methanesulfonamide (CID 126445500) is N-[5-[4-[(1S)-1-ethoxyethyl]phenyl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[4-[(1S)-1-ethoxyethyl]phenyl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[4-[(1S)-1-ethoxyethyl]phenyl]-2-pyridinyl]methanesulfonamide is CCO[C@@H](C)c1ccc(-c2ccc(NS(C)(=O)=O)nc2)cc1.
What is the InChIKey of N-[5-[4-[(1S)-1-ethoxyethyl]phenyl]-2-pyridinyl]methanesulfonamide?
The InChIKey is RNMHFJBHUNBSKI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-4-21-12(2)13-5-7-14(8-6-13)15-9-10-16(17-11-15)18-22(3,19)20/h5-12H,4H2,1-3H3,(H,17,18)/t12-/m0/s1.
What are the key properties of N-[5-[4-[(1S)-1-ethoxyethyl]phenyl]-2-pyridinyl]methanesulfonamide?
N-[5-[4-[(1S)-1-ethoxyethyl]phenyl]-2-pyridinyl]methanesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(1S)-1-ethoxyethyl]phenyl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 126445500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).