N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide

C19H21N3O3S — CID 113026320

IUPACN-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(NCc3ccco3)cn2)cc1
InChIInChI=1S/C19H21N3O3S/c1-14(2)15-5-8-18(9-6-15)26(23,24)22-19-10-7-16(12-21-19)20-13-17-4-3-11-25-17/h3-12,14,20H,13H2,1-2H3,(H,21,22)
InChIKeyGCLIORJYEPKQCI-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.21
Rot. Bonds7

About N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide

N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 113026320) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID113026320
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(NCc3ccco3)cn2)cc1
InChIInChI=1S/C19H21N3O3S/c1-14(2)15-5-8-18(9-6-15)26(23,24)22-19-10-7-16(12-21-19)20-13-17-4-3-11-25-17/h3-12,14,20H,13H2,1-2H3,(H,21,22)
InChIKeyGCLIORJYEPKQCI-UHFFFAOYSA-N
XLogP4.21
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113026312
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026556
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
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]butane-1-sulfonamide
CID 113026308
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032795
4-fluoro-N-[4-(furan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981847
N-[4-[[6-(furan-2-ylmethylamino)pyridazin-3-yl]sulfamoyl]phenyl]acetamide
CID 113040735
5-(dimethylsulfamoylamino)-2-(furan-2-ylmethylamino)pyridine
CID 113011375
4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012969
N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113010403
5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide
CID 113011418

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide (CID 113026320) is N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2ccc(NCc3ccco3)cn2)cc1.
What is the InChIKey of N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is GCLIORJYEPKQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-14(2)15-5-8-18(9-6-15)26(23,24)22-19-10-7-16(12-21-19)20-13-17-4-3-11-25-17/h3-12,14,20H,13H2,1-2H3,(H,21,22).
What are the key properties of N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 113026320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).