N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbenzenesulfonamide

C26H27N3O2S — CID 10275386

IUPACN-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbenzenesulfonamide
SMILESCN1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4ccc(-c5ccccc5)cc4)cc23)CC1
InChIInChI=1S/C26H27N3O2S/c1-29-15-13-21(14-16-29)25-18-27-26-12-9-22(17-24(25)26)28-32(30,31)23-10-7-20(8-11-23)19-5-3-2-4-6-19/h2-12,17-18,21,27-28H,13-16H2,1H3
InChIKeyYOIWOMIOVRDSRT-UHFFFAOYSA-N
MW445.59 g/mol
LogP5.44
Rot. Bonds5

About N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbenzenesulfonamide

N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbenzenesulfonamide (PubChem CID 10275386) has the molecular formula C26H27N3O2S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbenzenesulfonamide
PubChem CID10275386
Molecular FormulaC26H27N3O2S
Molecular Weight445.59 g/mol
Exact Mass445.18
IUPAC NameN-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbenzenesulfonamide
SMILESCN1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4ccc(-c5ccccc5)cc4)cc23)CC1
InChIInChI=1S/C26H27N3O2S/c1-29-15-13-21(14-16-29)25-18-27-26-12-9-22(17-24(25)26)28-32(30,31)23-10-7-20(8-11-23)19-5-3-2-4-6-19/h2-12,17-18,21,27-28H,13-16H2,1H3
InChIKeyYOIWOMIOVRDSRT-UHFFFAOYSA-N
XLogP5.44
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Naratriptan
CID 4440
Naratriptan Hydrochloride
CID 60875
Ro4368554
CID 6918682
N-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
5-Chloro-N-(3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)-2-naphthalenesulfonamide
CID 6918836
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
1-(Phenylsulfonyl)-4-(1-piperazinyl)-1h-indole
CID 10154392
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
Dansyltryptamine
CID 582771
PI5P4Kalpha-IN-1
CID 155524400
pyrrolidinylindole, (R)-5b
CID 11351089
Substituted phenylsulfonyltryptamine, 11j
CID 23655465

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbenzenesulfonamide (CID 10275386) is N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbenzenesulfonamide is CN1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4ccc(-c5ccccc5)cc4)cc23)CC1.
What is the InChIKey of N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbenzenesulfonamide?
The InChIKey is YOIWOMIOVRDSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2S/c1-29-15-13-21(14-16-29)25-18-27-26-12-9-22(17-24(25)26)28-32(30,31)23-10-7-20(8-11-23)19-5-3-2-4-6-19/h2-12,17-18,21,27-28H,13-16H2,1H3.
What are the key properties of N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbenzenesulfonamide?
N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbenzenesulfonamide has a molecular weight of 445.59 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 10275386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).