N-[4-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]phenyl]methanesulfonamide

C25H24N4O2S — CID 71173085

IUPACN-[4-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]phenyl]methanesulfonamide
SMILESCC(c1ccccc1-c1ccc(NS(C)(=O)=O)cc1)N(c1cccnc1)c1cccnc1
InChIInChI=1S/C25H24N4O2S/c1-19(29(22-7-5-15-26-17-22)23-8-6-16-27-18-23)24-9-3-4-10-25(24)20-11-13-21(14-12-20)28-32(2,30)31/h3-19,28H,1-2H3
InChIKeyXXKSFXVBYHUQCI-UHFFFAOYSA-N
MW444.56 g/mol
LogP5.41
Rot. Bonds7

About N-[4-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]phenyl]methanesulfonamide

N-[4-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]phenyl]methanesulfonamide (PubChem CID 71173085) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[4-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]phenyl]methanesulfonamide
PubChem CID71173085
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC NameN-[4-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]phenyl]methanesulfonamide
SMILESCC(c1ccccc1-c1ccc(NS(C)(=O)=O)cc1)N(c1cccnc1)c1cccnc1
InChIInChI=1S/C25H24N4O2S/c1-19(29(22-7-5-15-26-17-22)23-8-6-16-27-18-23)24-9-3-4-10-25(24)20-11-13-21(14-12-20)28-32(2,30)31/h3-19,28H,1-2H3
InChIKeyXXKSFXVBYHUQCI-UHFFFAOYSA-N
XLogP5.41
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]phenyl]methanesulfonamide (CID 71173085) is N-[4-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]phenyl]methanesulfonamide is CC(c1ccccc1-c1ccc(NS(C)(=O)=O)cc1)N(c1cccnc1)c1cccnc1.
What is the InChIKey of N-[4-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]phenyl]methanesulfonamide?
The InChIKey is XXKSFXVBYHUQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S/c1-19(29(22-7-5-15-26-17-22)23-8-6-16-27-18-23)24-9-3-4-10-25(24)20-11-13-21(14-12-20)28-32(2,30)31/h3-19,28H,1-2H3.
What are the key properties of N-[4-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]phenyl]methanesulfonamide?
N-[4-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]phenyl]methanesulfonamide has a molecular weight of 444.56 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[1-(dipyridin-3-ylamino)ethyl]phenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 71173085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).