4-methoxy-N-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzenesulfonamide

C21H23N3O6S — CID 15293874

IUPAC4-methoxy-N-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccnc2Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C21H23N3O6S/c1-27-15-7-9-16(10-8-15)31(25,26)24-17-6-5-11-22-21(17)23-14-12-18(28-2)20(30-4)19(13-14)29-3/h5-13,24H,1-4H3,(H,22,23)
InChIKeyBTMDFFFQKCUGDO-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.66
Rot. Bonds9

About 4-methoxy-N-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzenesulfonamide

4-methoxy-N-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzenesulfonamide (PubChem CID 15293874) has the molecular formula C21H23N3O6S and a molecular weight of 445.50 g/mol. Its IUPAC name is 4-methoxy-N-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzenesulfonamide
PubChem CID15293874
Molecular FormulaC21H23N3O6S
Molecular Weight445.50 g/mol
Exact Mass445.13
IUPAC Name4-methoxy-N-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccnc2Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C21H23N3O6S/c1-27-15-7-9-16(10-8-15)31(25,26)24-17-6-5-11-22-21(17)23-14-12-18(28-2)20(30-4)19(13-14)29-3/h5-13,24H,1-4H3,(H,22,23)
InChIKeyBTMDFFFQKCUGDO-UHFFFAOYSA-N
XLogP3.66
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-hydroxy-N-[2-(4-methoxyanilino)-3-pyridinyl]benzenesulfonamide
CID 15294805
[4-[[3-[(4-methoxyphenyl)sulfonylamino]-2-pyridinyl]amino]phenyl] hydrogen sulfate
CID 15294822
N-[2-(4-methoxyanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 118724063
4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide
CID 15293859
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide
CID 121304384
4-ethoxy-N-[2-(4-hydroxyanilino)-3-pyridinyl]benzenesulfonamide
CID 15294863
N-[3-[(4-methoxyphenyl)sulfonylamino]-2-pyridinyl]-1-benzothiophene-2-sulfonamide
CID 56646090
4-methoxy-N-(2-phenyl-3-pyridinyl)benzenesulfonamide
CID 154631921
N-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide
CID 102274855
1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)thiourea
CID 2207623
3-nitro-N-[3-(3,4,5-trimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 3333042
N-(6-methoxyquinolin-8-yl)benzenesulfonamide
CID 821430

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzenesulfonamide (CID 15293874) is 4-methoxy-N-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccnc2Nc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is BTMDFFFQKCUGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6S/c1-27-15-7-9-16(10-8-15)31(25,26)24-17-6-5-11-22-21(17)23-14-12-18(28-2)20(30-4)19(13-14)29-3/h5-13,24H,1-4H3,(H,22,23).
What are the key properties of 4-methoxy-N-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzenesulfonamide?
4-methoxy-N-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 445.50 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 15293874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).