1-(benzenesulfonyl)-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]indole

C24H24N4O2S — CID 10137681

IUPAC1-(benzenesulfonyl)-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]indole
SMILESO=S(=O)(c1ccccc1)n1ccc2c(N3CCN(Cc4ccncc4)CC3)cccc21
InChIInChI=1S/C24H24N4O2S/c29-31(30,21-5-2-1-3-6-21)28-14-11-22-23(7-4-8-24(22)28)27-17-15-26(16-18-27)19-20-9-12-25-13-10-20/h1-14H,15-19H2
InChIKeyXGOLFYTTXJFXRL-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.60
Rot. Bonds5

About 1-(benzenesulfonyl)-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]indole

1-(benzenesulfonyl)-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]indole (PubChem CID 10137681) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]indole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]indole
PubChem CID10137681
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name1-(benzenesulfonyl)-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]indole
SMILESO=S(=O)(c1ccccc1)n1ccc2c(N3CCN(Cc4ccncc4)CC3)cccc21
InChIInChI=1S/C24H24N4O2S/c29-31(30,21-5-2-1-3-6-21)28-14-11-22-23(7-4-8-24(22)28)27-17-15-26(16-18-27)19-20-9-12-25-13-10-20/h1-14H,15-19H2
InChIKeyXGOLFYTTXJFXRL-UHFFFAOYSA-N
XLogP3.60
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]indole
CID 162664825
N-[3-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]propyl]-1-benzylpiperidin-4-amine
CID 134130920
1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole
CID 10108884
4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole
CID 22015332
1-(benzenesulfonyl)-4-[4-[3-(2-propan-2-yloxyphenoxy)propyl]piperazin-1-yl]indole
CID 71502633
1-(benzenesulfonyl)-N-pyridin-4-ylindol-4-amine
CID 11163900
N-[7-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]heptyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 134131347
1-(benzenesulfonyl)-4-chloroindole
CID 11716255
1-(benzenesulfonyl)-4-(chloromethyl)indole
CID 118141510
(3aS,6aS)-5-(benzenesulfonyl)-2-(pyridin-4-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97401946
1-(benzenesulfonyl)-4-benzylsulfanylindole
CID 10249146
5-(4-benzylpiperazin-1-yl)-1-(4-phenylphenyl)sulfonylindole;hydrochloride
CID 69049725

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]indole?
The IUPAC name of 1-(benzenesulfonyl)-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]indole (CID 10137681) is 1-(benzenesulfonyl)-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]indole.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]indole?
The canonical SMILES for 1-(benzenesulfonyl)-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]indole is O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(Cc4ccncc4)CC3)cccc21.
What is the InChIKey of 1-(benzenesulfonyl)-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]indole?
The InChIKey is XGOLFYTTXJFXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c29-31(30,21-5-2-1-3-6-21)28-14-11-22-23(7-4-8-24(22)28)27-17-15-26(16-18-27)19-20-9-12-25-13-10-20/h1-14H,15-19H2.
What are the key properties of 1-(benzenesulfonyl)-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]indole?
1-(benzenesulfonyl)-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]indole has a molecular weight of 432.55 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]indole is sourced from PubChem (CID 10137681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).