1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide

C14H15ClN2O2S — CID 95968877

IUPAC1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide
SMILESC[C@@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccncc1
InChIInChI=1S/C14H15ClN2O2S/c1-11(12-6-8-16-9-7-12)17-20(18,19)10-13-4-2-3-5-14(13)15/h2-9,11,17H,10H2,1H3/t11-/m1/s1
InChIKeyGQVYHLIFKGZAQL-LLVKDONJSA-N
MW310.81 g/mol
LogP2.92
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide

1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide (PubChem CID 95968877) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide
PubChem CID95968877
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide
SMILESC[C@@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccncc1
InChIInChI=1S/C14H15ClN2O2S/c1-11(12-6-8-16-9-7-12)17-20(18,19)10-13-4-2-3-5-14(13)15/h2-9,11,17H,10H2,1H3/t11-/m1/s1
InChIKeyGQVYHLIFKGZAQL-LLVKDONJSA-N
XLogP2.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 92673614
2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 4827426
1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide
CID 3944658
2-chloro-N-[(1S)-1-pyridin-4-ylethyl]ethanesulfonamide
CID 107858762
2-chloro-N-(1-pyridin-4-ylethyl)ethanesulfonamide
CID 107650505
1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide
CID 17257591
1-(2-chlorophenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]methanesulfonamide
CID 92646385
1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide
CID 17257571
1-(2-aminophenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 107864041
1-(2-chlorophenyl)-N-(6-methylheptan-2-yl)methanesulfonamide
CID 3647642
1-(2-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 93487236
1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]methanesulfonamide
CID 42563699

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide (CID 95968877) is 1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide is C[C@@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccncc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide?
The InChIKey is GQVYHLIFKGZAQL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-11(12-6-8-16-9-7-12)17-20(18,19)10-13-4-2-3-5-14(13)15/h2-9,11,17H,10H2,1H3/t11-/m1/s1.
What are the key properties of 1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]methanesulfonamide is sourced from PubChem (CID 95968877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).