N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide

C16H21N3O4S — CID 113020002

IUPACN-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2cc(OC)ccc2OC)nc1
InChIInChI=1S/C16H21N3O4S/c1-4-9-24(20,21)19-12-5-8-16(17-11-12)18-14-10-13(22-2)6-7-15(14)23-3/h5-8,10-11,19H,4,9H2,1-3H3,(H,17,18)
InChIKeyUYZHKNCFQFRIRD-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.99
Rot. Bonds8

About N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide

N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide (PubChem CID 113020002) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide
PubChem CID113020002
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2cc(OC)ccc2OC)nc1
InChIInChI=1S/C16H21N3O4S/c1-4-9-24(20,21)19-12-5-8-16(17-11-12)18-14-10-13(22-2)6-7-15(14)23-3/h5-8,10-11,19H,4,9H2,1-3H3,(H,17,18)
InChIKeyUYZHKNCFQFRIRD-UHFFFAOYSA-N
XLogP2.99
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113020065
N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide
CID 112987904
N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
CID 60640726
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020007
ethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate
CID 113019994
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-ethylbutanamide
CID 113019957
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113019975
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide
CID 113019129
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]acetamide
CID 113034610
ethyl N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]carbamate
CID 113034657
2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016171
N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113029927

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide?
The IUPAC name of N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide (CID 113020002) is N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide.
What is the SMILES notation for N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide?
The canonical SMILES for N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2cc(OC)ccc2OC)nc1.
What is the InChIKey of N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide?
The InChIKey is UYZHKNCFQFRIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-4-9-24(20,21)19-12-5-8-16(17-11-12)18-14-10-13(22-2)6-7-15(14)23-3/h5-8,10-11,19H,4,9H2,1-3H3,(H,17,18).
What are the key properties of N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide?
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide has a molecular weight of 351.43 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide is sourced from PubChem (CID 113020002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).