3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

C13H12Cl2N2O3S — CID 6463677

IUPAC3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl
InChIInChI=1S/C13H12Cl2N2O3S/c1-20-13-11(5-4-10(14)12(13)15)21(18,19)17-8-9-3-2-6-16-7-9/h2-7,17H,8H2,1H3
InChIKeyQGOQQEUNNMDEIK-UHFFFAOYSA-N
MW347.22 g/mol
LogP2.88
Rot. Bonds5

About 3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 6463677) has the molecular formula C13H12Cl2N2O3S and a molecular weight of 347.22 g/mol. Its IUPAC name is 3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID6463677
Molecular FormulaC13H12Cl2N2O3S
Molecular Weight347.22 g/mol
Exact Mass345.99
IUPAC Name3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCOc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl
InChIInChI=1S/C13H12Cl2N2O3S/c1-20-13-11(5-4-10(14)12(13)15)21(18,19)17-8-9-3-2-6-16-7-9/h2-7,17H,8H2,1H3
InChIKeyQGOQQEUNNMDEIK-UHFFFAOYSA-N
XLogP2.88
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110758481
5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110757909
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
3-tert-butyl-2-methoxy-5-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110758584
N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
CID 84549972
4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030823
4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 26947494
4-chloro-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid
CID 2411456
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
3,4-dichloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 39847484

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 6463677) is 3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is COc1c(S(=O)(=O)NCc2cccnc2)ccc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is QGOQQEUNNMDEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3S/c1-20-13-11(5-4-10(14)12(13)15)21(18,19)17-8-9-3-2-6-16-7-9/h2-7,17H,8H2,1H3.
What are the key properties of 3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 347.22 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 6463677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).