5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide

C17H16ClN3O4S — CID 113011418

IUPAC5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(NCc2ccco2)nc1
InChIInChI=1S/C17H16ClN3O4S/c1-24-15-6-4-12(18)9-16(15)26(22,23)21-13-5-7-17(19-10-13)20-11-14-3-2-8-25-14/h2-10,21H,11H2,1H3,(H,19,20)
InChIKeyIHOXTBUDULICCX-UHFFFAOYSA-N
MW393.85 g/mol
LogP3.75
Rot. Bonds7

About 5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide

5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide (PubChem CID 113011418) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is 5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide
PubChem CID113011418
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC Name5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(NCc2ccco2)nc1
InChIInChI=1S/C17H16ClN3O4S/c1-24-15-6-4-12(18)9-16(15)26(22,23)21-13-5-7-17(19-10-13)20-11-14-3-2-8-25-14/h2-10,21H,11H2,1H3,(H,19,20)
InChIKeyIHOXTBUDULICCX-UHFFFAOYSA-N
XLogP3.75
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 686051
5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3476038
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
5-(dimethylsulfamoylamino)-2-(furan-2-ylmethylamino)pyridine
CID 113011375
N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113011512
N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113011417
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113026317
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
3-(3,4-dimethoxyphenyl)-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide
CID 113011350
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026320
5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide
CID 113009843
N-(5-chloro-2-pyridinyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 6473185

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide (CID 113011418) is 5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(NCc2ccco2)nc1.
What is the InChIKey of 5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide?
The InChIKey is IHOXTBUDULICCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S/c1-24-15-6-4-12(18)9-16(15)26(22,23)21-13-5-7-17(19-10-13)20-11-14-3-2-8-25-14/h2-10,21H,11H2,1H3,(H,19,20).
What are the key properties of 5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide has a molecular weight of 393.85 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 113011418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).