N-(3-iodo-4-propoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide

C16H19IN2O3S — CID 19844897

IUPACN-(3-iodo-4-propoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCCCOc1ccc(N(Cc2cccnc2)S(C)(=O)=O)cc1I
InChIInChI=1S/C16H19IN2O3S/c1-3-9-22-16-7-6-14(10-15(16)17)19(23(2,20)21)12-13-5-4-8-18-11-13/h4-8,10-11H,3,9,12H2,1-2H3
InChIKeyWELITTBSUGJXJE-UHFFFAOYSA-N
MW446.31 g/mol
LogP3.44
Rot. Bonds7

About N-(3-iodo-4-propoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide

N-(3-iodo-4-propoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide (PubChem CID 19844897) has the molecular formula C16H19IN2O3S and a molecular weight of 446.31 g/mol. Its IUPAC name is N-(3-iodo-4-propoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-iodo-4-propoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
PubChem CID19844897
Molecular FormulaC16H19IN2O3S
Molecular Weight446.31 g/mol
Exact Mass446.02
IUPAC NameN-(3-iodo-4-propoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCCCOc1ccc(N(Cc2cccnc2)S(C)(=O)=O)cc1I
InChIInChI=1S/C16H19IN2O3S/c1-3-9-22-16-7-6-14(10-15(16)17)19(23(2,20)21)12-13-5-4-8-18-11-13/h4-8,10-11H,3,9,12H2,1-2H3
InChIKeyWELITTBSUGJXJE-UHFFFAOYSA-N
XLogP3.44
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360932
N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360546
N-[3-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521708
N-(4-chloro-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 14720349
ethane;N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 91055403
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360936
N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961
N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521704
N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 10157712
N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 174517903
5-bromo-2-propoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 27266270
5-methyl-2-propoxy-N-(pyridin-3-ylmethyl)aniline
CID 83961735

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-4-propoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
The IUPAC name of N-(3-iodo-4-propoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide (CID 19844897) is N-(3-iodo-4-propoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(3-iodo-4-propoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(3-iodo-4-propoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide is CCCOc1ccc(N(Cc2cccnc2)S(C)(=O)=O)cc1I.
What is the InChIKey of N-(3-iodo-4-propoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
The InChIKey is WELITTBSUGJXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IN2O3S/c1-3-9-22-16-7-6-14(10-15(16)17)19(23(2,20)21)12-13-5-4-8-18-11-13/h4-8,10-11H,3,9,12H2,1-2H3.
What are the key properties of N-(3-iodo-4-propoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
N-(3-iodo-4-propoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide has a molecular weight of 446.31 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-4-propoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 19844897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).