5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

C14H15ClN2O3S — CID 110757909

IUPAC5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C14H15ClN2O3S/c1-10-6-13(20-2)14(7-12(10)15)21(18,19)17-9-11-4-3-5-16-8-11/h3-8,17H,9H2,1-2H3
InChIKeyPPYPODOXIRLXIS-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.53
Rot. Bonds5

About 5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 110757909) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID110757909
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C14H15ClN2O3S/c1-10-6-13(20-2)14(7-12(10)15)21(18,19)17-9-11-4-3-5-16-8-11/h3-8,17H,9H2,1-2H3
InChIKeyPPYPODOXIRLXIS-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

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Related Compounds

5-amino-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 79961726
3-methoxy-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100575412
5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110758481
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030823
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 6463677
4-ethoxy-2-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 6461722
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
3-tert-butyl-2-methoxy-5-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110758584
5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 977109
5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 59436024

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 110757909) is 5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is COc1cc(C)c(Cl)cc1S(=O)(=O)NCc1cccnc1.
What is the InChIKey of 5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is PPYPODOXIRLXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-10-6-13(20-2)14(7-12(10)15)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-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
5-chloro-2-methoxy-4-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-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110757909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).