N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide

C14H16N2O5S2 — CID 55559063

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)ccn1
InChIInChI=1S/C14H16N2O5S2/c1-21-14-8-11(6-7-15-14)10-16-23(19,20)13-5-3-4-12(9-13)22(2,17)18/h3-9,16H,10H2,1-2H3
InChIKeyYDFNUNXPCQCFAB-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.97
Rot. Bonds6

About N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide

N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide (PubChem CID 55559063) has the molecular formula C14H16N2O5S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide
PubChem CID55559063
Molecular FormulaC14H16N2O5S2
Molecular Weight356.43 g/mol
Exact Mass356.05
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)ccn1
InChIInChI=1S/C14H16N2O5S2/c1-21-14-8-11(6-7-15-14)10-16-23(19,20)13-5-3-4-12(9-13)22(2,17)18/h3-9,16H,10H2,1-2H3
InChIKeyYDFNUNXPCQCFAB-UHFFFAOYSA-N
XLogP0.97
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide
CID 62991116
3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide
CID 39630547
N-[(2-methoxy-4-pyridinyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62990758
N-[(2-methoxy-4-pyridinyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62989683
N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106062049
4-(2,4-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide
CID 58108466
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide
CID 146022846
2-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-sulfonamide
CID 106594468
5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide
CID 87032101
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide
CID 36582613
N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106062054
5-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylfuran-3-sulfonamide
CID 106062062

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide (CID 55559063) is N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide is COc1cc(CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide?
The InChIKey is YDFNUNXPCQCFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S2/c1-21-14-8-11(6-7-15-14)10-16-23(19,20)13-5-3-4-12(9-13)22(2,17)18/h3-9,16H,10H2,1-2H3.
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide?
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide has a molecular weight of 356.43 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 55559063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).