N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide

C22H24N2O3S — CID 110360679

IUPACN-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
SMILESCOc1ccc(N(Cc2cccnc2)S(=O)(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C22H24N2O3S/c1-27-22-13-11-21(12-14-22)24(18-20-9-5-15-23-17-20)28(25,26)16-6-10-19-7-3-2-4-8-19/h2-5,7-9,11-15,17H,6,10,16,18H2,1H3
InChIKeyRILQBPOYOGTHNL-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.06
Rot. Bonds9

About N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide

N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide (PubChem CID 110360679) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
PubChem CID110360679
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
SMILESCOc1ccc(N(Cc2cccnc2)S(=O)(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C22H24N2O3S/c1-27-22-13-11-21(12-14-22)24(18-20-9-5-15-23-17-20)28(25,26)16-6-10-19-7-3-2-4-8-19/h2-5,7-9,11-15,17H,6,10,16,18H2,1H3
InChIKeyRILQBPOYOGTHNL-UHFFFAOYSA-N
XLogP4.06
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110360575
N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 10157712
N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110724741
4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360449
N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360546
N-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360388
1-methoxy-4-(3-phenylpropylsulfonyl)benzene
CID 54270820
N-(4-methoxyphenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 110360620
3-(3-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)propanamide
CID 60558316
N-(4-fluorophenyl)-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360866
phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate
CID 110360643
4-methoxy-2-methyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360451

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide (CID 110360679) is N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide is COc1ccc(N(Cc2cccnc2)S(=O)(=O)CCCc2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide?
The InChIKey is RILQBPOYOGTHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-27-22-13-11-21(12-14-22)24(18-20-9-5-15-23-17-20)28(25,26)16-6-10-19-7-3-2-4-8-19/h2-5,7-9,11-15,17H,6,10,16,18H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide?
N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide has a molecular weight of 396.51 g/mol, XLogP of 4.06, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 110360679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).