3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide

C19H19N3O4S — CID 91816113

IUPAC3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(-c3cccnc3)nc2)cc1OC
InChIInChI=1S/C19H19N3O4S/c1-25-18-8-6-16(10-19(18)26-2)27(23,24)22-12-14-5-7-17(21-11-14)15-4-3-9-20-13-15/h3-11,13,22H,12H2,1-2H3
InChIKeyDDZDVMJGWGLZSZ-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.64
Rot. Bonds7

About 3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide

3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 91816113) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID91816113
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(-c3cccnc3)nc2)cc1OC
InChIInChI=1S/C19H19N3O4S/c1-25-18-8-6-16(10-19(18)26-2)27(23,24)22-12-14-5-7-17(21-11-14)15-4-3-9-20-13-15/h3-11,13,22H,12H2,1-2H3
InChIKeyDDZDVMJGWGLZSZ-UHFFFAOYSA-N
XLogP2.64
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 91625946
3,4-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318763
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
3-(5-hydroxy-3-pyridinyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 170510592
N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]propanamide
CID 27195572
3-chloro-4-methoxy-N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110318123
3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide
CID 110406353
3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 46778268
3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 39665317
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 9191426
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 126199254
N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 46556031

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide (CID 91816113) is 3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(-c3cccnc3)nc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is DDZDVMJGWGLZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-25-18-8-6-16(10-19(18)26-2)27(23,24)22-12-14-5-7-17(21-11-14)15-4-3-9-20-13-15/h3-11,13,22H,12H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide?
3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 91816113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).