N-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide

C21H22N2O2S — CID 110360388

IUPACN-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCc1cccc(N(Cc2cccnc2)S(=O)(=O)CCc2ccccc2)c1
InChIInChI=1S/C21H22N2O2S/c1-18-7-5-11-21(15-18)23(17-20-10-6-13-22-16-20)26(24,25)14-12-19-8-3-2-4-9-19/h2-11,13,15-16H,12,14,17H2,1H3
InChIKeyKIUJMOZMHQOUEL-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.97
Rot. Bonds7

About N-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide

N-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide (PubChem CID 110360388) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
PubChem CID110360388
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCc1cccc(N(Cc2cccnc2)S(=O)(=O)CCc2ccccc2)c1
InChIInChI=1S/C21H22N2O2S/c1-18-7-5-11-21(15-18)23(17-20-10-6-13-22-16-20)26(24,25)14-12-19-8-3-2-4-9-19/h2-11,13,15-16H,12,14,17H2,1H3
InChIKeyKIUJMOZMHQOUEL-UHFFFAOYSA-N
XLogP3.97
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110360575
ethane;N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 91055403
N-(3-chlorophenyl)-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360985
N-[3-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521708
N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110360679
N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360546
N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521704
2,2,2-trifluoro-N-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521664
N-[3-(dimethylamino)phenyl]-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 90872302
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360936
N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110724741

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The IUPAC name of N-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide (CID 110360388) is N-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide is Cc1cccc(N(Cc2cccnc2)S(=O)(=O)CCc2ccccc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The InChIKey is KIUJMOZMHQOUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-18-7-5-11-21(15-18)23(17-20-10-6-13-22-16-20)26(24,25)14-12-19-8-3-2-4-9-19/h2-11,13,15-16H,12,14,17H2,1H3.
What are the key properties of N-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide?
N-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide has a molecular weight of 366.49 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 110360388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).