4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide

C20H22N4O2S — CID 113012969

IUPAC4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(NCc3ccncc3)nc2)cc1
InChIInChI=1S/C20H22N4O2S/c1-15(2)17-3-6-19(7-4-17)27(25,26)24-18-5-8-20(23-14-18)22-13-16-9-11-21-12-10-16/h3-12,14-15,24H,13H2,1-2H3,(H,22,23)
InChIKeyPKJTZWNPIRXOGQ-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.01
Rot. Bonds7

About 4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide

4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113012969) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
PubChem CID113012969
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(NCc3ccncc3)nc2)cc1
InChIInChI=1S/C20H22N4O2S/c1-15(2)17-3-6-19(7-4-17)27(25,26)24-18-5-8-20(23-14-18)22-13-16-9-11-21-12-10-16/h3-12,14-15,24H,13H2,1-2H3,(H,22,23)
InChIKeyPKJTZWNPIRXOGQ-UHFFFAOYSA-N
XLogP4.01
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012992
N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113010403
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide
CID 113012955
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide
CID 113012956
4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017865
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026556
1-propan-2-yl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea
CID 113012952
4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012724
N-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113022925
N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113016162
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026320
N,N-dimethyl-6-(pyridin-4-ylmethylamino)pyridine-3-sulfonamide
CID 104999383

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide (CID 113012969) is 4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2ccc(NCc3ccncc3)nc2)cc1.
What is the InChIKey of 4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is PKJTZWNPIRXOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-15(2)17-3-6-19(7-4-17)27(25,26)24-18-5-8-20(23-14-18)22-13-16-9-11-21-12-10-16/h3-12,14-15,24H,13H2,1-2H3,(H,22,23).
What are the key properties of 4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide?
4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113012969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).