N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide

C16H20N2O2S — CID 110724741

IUPACN-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
SMILESCN(Cc1cccnc1)S(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-18(14-16-9-5-11-17-13-16)21(19,20)12-6-10-15-7-3-2-4-8-15/h2-5,7-9,11,13H,6,10,12,14H2,1H3
InChIKeyPYUKMUZGSVFAEY-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.48
Rot. Bonds7

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

N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide (PubChem CID 110724741) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
PubChem CID110724741
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
SMILESCN(Cc1cccnc1)S(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-18(14-16-9-5-11-17-13-16)21(19,20)12-6-10-15-7-3-2-4-8-15/h2-5,7-9,11,13H,6,10,12,14H2,1H3
InChIKeyPYUKMUZGSVFAEY-UHFFFAOYSA-N
XLogP2.48
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 47121805
N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110360679
N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961
N-(3-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110360575
N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine
CID 86916823
N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110724733
N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropane-1-sulfonamide
CID 110669404
1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 173272882
N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine
CID 86931183
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 86922552
2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid
CID 43471408
N-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360388

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide?
The IUPAC name of N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide (CID 110724741) is N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide is CN(Cc1cccnc1)S(=O)(=O)CCCc1ccccc1.
What is the InChIKey of N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide?
The InChIKey is PYUKMUZGSVFAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-18(14-16-9-5-11-17-13-16)21(19,20)12-6-10-15-7-3-2-4-8-15/h2-5,7-9,11,13H,6,10,12,14H2,1H3.
What are the key properties of N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide?
N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 110724741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).