N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide

C16H20N2O3S — CID 51320441

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCc2ccc(OC)nc2)cc1
InChIInChI=1S/C16H20N2O3S/c1-3-4-13-5-8-15(9-6-13)22(19,20)18-12-14-7-10-16(21-2)17-11-14/h5-11,18H,3-4,12H2,1-2H3
InChIKeyJTBMNMVGVRQCEV-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.52
Rot. Bonds7

About N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide

N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide (PubChem CID 51320441) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide
PubChem CID51320441
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCc2ccc(OC)nc2)cc1
InChIInChI=1S/C16H20N2O3S/c1-3-4-13-5-8-15(9-6-13)22(19,20)18-12-14-7-10-16(21-2)17-11-14/h5-11,18H,3-4,12H2,1-2H3
InChIKeyJTBMNMVGVRQCEV-UHFFFAOYSA-N
XLogP2.52
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide
CID 62989325
6-hydrazinyl-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 62990289
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 134036423
4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide
CID 51320453
2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 51320454
5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 106268154
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61249590
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]ethanesulfonamide
CID 107651707
4-amino-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 62990765
4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]butane-1-sulfonamide
CID 106000823
N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106000806
N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide
CID 6411940

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide (CID 51320441) is N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCc2ccc(OC)nc2)cc1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide?
The InChIKey is JTBMNMVGVRQCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-3-4-13-5-8-15(9-6-13)22(19,20)18-12-14-7-10-16(21-2)17-11-14/h5-11,18H,3-4,12H2,1-2H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide?
N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 51320441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).