5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

C14H15ClN2O3S — CID 110758481

IUPAC5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1c(C)cc(Cl)cc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C14H15ClN2O3S/c1-10-6-12(15)7-13(14(10)20-2)21(18,19)17-9-11-4-3-5-16-8-11/h3-8,17H,9H2,1-2H3
InChIKeyLPLWPWJRINKYNI-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.53
Rot. Bonds5

About 5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 110758481) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID110758481
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1c(C)cc(Cl)cc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C14H15ClN2O3S/c1-10-6-12(15)7-13(14(10)20-2)21(18,19)17-9-11-4-3-5-16-8-11/h3-8,17H,9H2,1-2H3
InChIKeyLPLWPWJRINKYNI-UHFFFAOYSA-N
XLogP2.53
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide 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

5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110757909
3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 6463677
3-tert-butyl-2-methoxy-5-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110758584
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
5-amino-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 79961726
3-(aminomethyl)-2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030751
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 26947494
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 59436024
5-chloro-2-methoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 110758467
5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 977109

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 110758481) is 5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is COc1c(C)cc(Cl)cc1S(=O)(=O)NCc1cccnc1.
What is the InChIKey of 5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is LPLWPWJRINKYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-10-6-12(15)7-13(14(10)20-2)21(18,19)17-9-11-4-3-5-16-8-11/h3-8,17H,9H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 326.81 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110758481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).