4-phenyl-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]benzenesulfonamide

C28H31N3O2S — CID 25184428

IUPAC4-phenyl-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(ccn2CCCN2CCCCC2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H31N3O2S/c32-34(33,27-13-10-24(11-14-27)23-8-3-1-4-9-23)29-26-12-15-28-25(22-26)16-21-31(28)20-7-19-30-17-5-2-6-18-30/h1,3-4,8-16,21-22,29H,2,5-7,17-20H2
InChIKeyCGUQJAUJONKOGO-UHFFFAOYSA-N
MW473.64 g/mol
LogP5.99
Rot. Bonds8

About 4-phenyl-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]benzenesulfonamide

4-phenyl-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]benzenesulfonamide (PubChem CID 25184428) has the molecular formula C28H31N3O2S and a molecular weight of 473.64 g/mol. Its IUPAC name is 4-phenyl-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-phenyl-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]benzenesulfonamide
PubChem CID25184428
Molecular FormulaC28H31N3O2S
Molecular Weight473.64 g/mol
Exact Mass473.21
IUPAC Name4-phenyl-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(ccn2CCCN2CCCCC2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H31N3O2S/c32-34(33,27-13-10-24(11-14-27)23-8-3-1-4-9-23)29-26-12-15-28-25(22-26)16-21-31(28)20-7-19-30-17-5-2-6-18-30/h1,3-4,8-16,21-22,29H,2,5-7,17-20H2
InChIKeyCGUQJAUJONKOGO-UHFFFAOYSA-N
XLogP5.99
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.64
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(diethylamino)ethyl]indol-5-yl]-4-phenylbenzenesulfonamide
CID 11201712
N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-2-sulfonamide
CID 11166043
6-chloro-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 11408954
4-methoxy-N-[4-[[6-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 69134956
4-methoxy-N-[4-[[6-[1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 69135926
4-bromo-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]benzenesulfonamide
CID 11676162
N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-1-sulfonamide
CID 11362134
N-[1-[2-(diethylamino)ethyl]indol-5-yl]naphthalene-2-sulfonamide
CID 11270131
1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea
CID 112806234
2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 20918879
N-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine
CID 102915720
3-chloro-4-fluoro-N-[4-[[6-[1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 69136522

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]benzenesulfonamide?
The IUPAC name of 4-phenyl-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]benzenesulfonamide (CID 25184428) is 4-phenyl-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-phenyl-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-phenyl-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]benzenesulfonamide is O=S(=O)(Nc1ccc2c(ccn2CCCN2CCCCC2)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]benzenesulfonamide?
The InChIKey is CGUQJAUJONKOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2S/c32-34(33,27-13-10-24(11-14-27)23-8-3-1-4-9-23)29-26-12-15-28-25(22-26)16-21-31(28)20-7-19-30-17-5-2-6-18-30/h1,3-4,8-16,21-22,29H,2,5-7,17-20H2.
What are the key properties of 4-phenyl-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]benzenesulfonamide?
4-phenyl-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]benzenesulfonamide has a molecular weight of 473.64 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]benzenesulfonamide is sourced from PubChem (CID 25184428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).