N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide

C14H15ClN2O2S — CID 25042955

IUPACN-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)NCc1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O2S/c15-13-5-3-4-12(10-13)11-17-20(18,19)9-7-14-6-1-2-8-16-14/h1-6,8,10,17H,7,9,11H2
InChIKeySMEIVBAVUJCBCI-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.40
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide

N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide (PubChem CID 25042955) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
PubChem CID25042955
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC NameN-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)NCc1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O2S/c15-13-5-3-4-12(10-13)11-17-20(18,19)9-7-14-6-1-2-8-16-14/h1-6,8,10,17H,7,9,11H2
InChIKeySMEIVBAVUJCBCI-UHFFFAOYSA-N
XLogP2.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 47956780
N-[(3-chlorophenyl)methyl]propane-1-sulfonamide
CID 47105679
N-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide
CID 79579372
1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 4719779
N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 74224453
N-[(3-chlorophenyl)methyl]-2-(methylamino)ethanesulfonamide
CID 62531388
N-(5-chloro-2-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide
CID 25040971
N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 75493390
N-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide
CID 61343078
N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 75493544
3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141858
N-[[3-(chloromethyl)phenyl]methyl]-2-phenylethanesulfonamide
CID 80690880

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide (CID 25042955) is N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide is O=S(=O)(CCc1ccccn1)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide?
The InChIKey is SMEIVBAVUJCBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c15-13-5-3-4-12(10-13)11-17-20(18,19)9-7-14-6-1-2-8-16-14/h1-6,8,10,17H,7,9,11H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide?
N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 25042955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).