4-tert-butyl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide

C21H24N4O2S — CID 113012992

IUPAC4-tert-butyl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(NCc3ccncc3)nc2)cc1
InChIInChI=1S/C21H24N4O2S/c1-21(2,3)17-4-7-19(8-5-17)28(26,27)25-18-6-9-20(24-15-18)23-14-16-10-12-22-13-11-16/h4-13,15,25H,14H2,1-3H3,(H,23,24)
InChIKeyVMPQDSKJGKOENW-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.19
Rot. Bonds6

About 4-tert-butyl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide

4-tert-butyl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113012992) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 4-tert-butyl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
PubChem CID113012992
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name4-tert-butyl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(NCc3ccncc3)nc2)cc1
InChIInChI=1S/C21H24N4O2S/c1-21(2,3)17-4-7-19(8-5-17)28(26,27)25-18-6-9-20(24-15-18)23-14-16-10-12-22-13-11-16/h4-13,15,25H,14H2,1-3H3,(H,23,24)
InChIKeyVMPQDSKJGKOENW-UHFFFAOYSA-N
XLogP4.19
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012969
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide
CID 113012955
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide
CID 113012956
N,N-dimethyl-6-(pyridin-4-ylmethylamino)pyridine-3-sulfonamide
CID 104999383
4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027950
N-[6-(benzylamino)pyridazin-3-yl]-4-tert-butylbenzenesulfonamide
CID 113040855
N-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 113024340
4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012724
N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113011508
N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide
CID 113031285
2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011825
6-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 62150311

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide (CID 113012992) is 4-tert-butyl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(NCc3ccncc3)nc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is VMPQDSKJGKOENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-21(2,3)17-4-7-19(8-5-17)28(26,27)25-18-6-9-20(24-15-18)23-14-16-10-12-22-13-11-16/h4-13,15,25H,14H2,1-3H3,(H,23,24).
What are the key properties of 4-tert-butyl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide?
4-tert-butyl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 396.52 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113012992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).