N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide

C19H19N3O4S — CID 113031264

IUPACN-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3)cn2)cc1OC
InChIInChI=1S/C19H19N3O4S/c1-25-17-10-9-16(12-18(17)26-2)27(23,24)22-19-11-8-15(13-20-19)21-14-6-4-3-5-7-14/h3-13,21H,1-2H3,(H,20,22)
InChIKeyXFTWVXUNGOAQPS-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.64
Rot. Bonds7

About N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide

N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 113031264) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID113031264
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3)cn2)cc1OC
InChIInChI=1S/C19H19N3O4S/c1-25-17-10-9-16(12-18(17)26-2)27(23,24)22-19-11-8-15(13-20-19)21-14-6-4-3-5-7-14/h3-13,21H,1-2H3,(H,20,22)
InChIKeyXFTWVXUNGOAQPS-UHFFFAOYSA-N
XLogP3.64
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 24995120
N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide
CID 113033802
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032223
N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide
CID 113031285
N-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032534
3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide
CID 110406353
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032298
N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032141
3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302279
3,4-dimethoxy-N-[4-(4-methylanilino)phenyl]benzenesulfonamide
CID 112986058
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
CID 795443
N-[5-(4-ethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032527

Frequently Asked Questions

What is the IUPAC name of N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide (CID 113031264) is N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3)cn2)cc1OC.
What is the InChIKey of N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is XFTWVXUNGOAQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-25-17-10-9-16(12-18(17)26-2)27(23,24)22-19-11-8-15(13-20-19)21-14-6-4-3-5-7-14/h3-13,21H,1-2H3,(H,20,22).
What are the key properties of N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide?
N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 113031264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).