N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide

C17H17N3O4S2 — CID 113020133

IUPACN-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
SMILESCOc1ccc(Nc2ccc(NS(=O)(=O)c3cccs3)cn2)cc1OC
InChIInChI=1S/C17H17N3O4S2/c1-23-14-7-5-12(10-15(14)24-2)19-16-8-6-13(11-18-16)20-26(21,22)17-4-3-9-25-17/h3-11,20H,1-2H3,(H,18,19)
InChIKeyMWPCQHGXXVYYNL-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.70
Rot. Bonds7

About N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide

N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113020133) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
PubChem CID113020133
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC NameN-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
SMILESCOc1ccc(Nc2ccc(NS(=O)(=O)c3cccs3)cn2)cc1OC
InChIInChI=1S/C17H17N3O4S2/c1-23-14-7-5-12(10-15(14)24-2)19-16-8-6-13(11-18-16)20-26(21,22)17-4-3-9-25-17/h3-11,20H,1-2H3,(H,18,19)
InChIKeyMWPCQHGXXVYYNL-UHFFFAOYSA-N
XLogP3.70
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019463
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020007
N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113017131
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113018953
N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113021347
N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032152
N-[6-(methylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 115268517
N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019944
N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019023
methyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate
CID 113020656
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027386
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113048262

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide (CID 113020133) is N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide is COc1ccc(Nc2ccc(NS(=O)(=O)c3cccs3)cn2)cc1OC.
What is the InChIKey of N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is MWPCQHGXXVYYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c1-23-14-7-5-12(10-15(14)24-2)19-16-8-6-13(11-18-16)20-26(21,22)17-4-3-9-25-17/h3-11,20H,1-2H3,(H,18,19).
What are the key properties of N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide?
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 391.47 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113020133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).