4-pentyl-N-[2-[5-(1H-pyrrol-2-yl)-1H-indol-3-yl]ethyl]benzenesulfonamide

C25H29N3O2S — CID 24825397

IUPAC4-pentyl-N-[2-[5-(1H-pyrrol-2-yl)-1H-indol-3-yl]ethyl]benzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(-c4ccc[nH]4)cc23)cc1
InChIInChI=1S/C25H29N3O2S/c1-2-3-4-6-19-8-11-22(12-9-19)31(29,30)28-16-14-21-18-27-25-13-10-20(17-23(21)25)24-7-5-15-26-24/h5,7-13,15,17-18,26-28H,2-4,6,14,16H2,1H3
InChIKeyHUKZTVVBHZGABD-UHFFFAOYSA-N
MW435.59 g/mol
LogP5.42
Rot. Bonds10

About 4-pentyl-N-[2-[5-(1H-pyrrol-2-yl)-1H-indol-3-yl]ethyl]benzenesulfonamide

4-pentyl-N-[2-[5-(1H-pyrrol-2-yl)-1H-indol-3-yl]ethyl]benzenesulfonamide (PubChem CID 24825397) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is 4-pentyl-N-[2-[5-(1H-pyrrol-2-yl)-1H-indol-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-pentyl-N-[2-[5-(1H-pyrrol-2-yl)-1H-indol-3-yl]ethyl]benzenesulfonamide
PubChem CID24825397
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC Name4-pentyl-N-[2-[5-(1H-pyrrol-2-yl)-1H-indol-3-yl]ethyl]benzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(-c4ccc[nH]4)cc23)cc1
InChIInChI=1S/C25H29N3O2S/c1-2-3-4-6-19-8-11-22(12-9-19)31(29,30)28-16-14-21-18-27-25-13-10-20(17-23(21)25)24-7-5-15-26-24/h5,7-13,15,17-18,26-28H,2-4,6,14,16H2,1H3
InChIKeyHUKZTVVBHZGABD-UHFFFAOYSA-N
XLogP5.42
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.59
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pentyl-N-[2-[5-(1H-pyrrol-2-yl)-1H-indol-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-pentyl-N-[2-[5-(1H-pyrrol-2-yl)-1H-indol-3-yl]ethyl]benzenesulfonamide (CID 24825397) is 4-pentyl-N-[2-[5-(1H-pyrrol-2-yl)-1H-indol-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-pentyl-N-[2-[5-(1H-pyrrol-2-yl)-1H-indol-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-pentyl-N-[2-[5-(1H-pyrrol-2-yl)-1H-indol-3-yl]ethyl]benzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(-c4ccc[nH]4)cc23)cc1.
What is the InChIKey of 4-pentyl-N-[2-[5-(1H-pyrrol-2-yl)-1H-indol-3-yl]ethyl]benzenesulfonamide?
The InChIKey is HUKZTVVBHZGABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c1-2-3-4-6-19-8-11-22(12-9-19)31(29,30)28-16-14-21-18-27-25-13-10-20(17-23(21)25)24-7-5-15-26-24/h5,7-13,15,17-18,26-28H,2-4,6,14,16H2,1H3.
What are the key properties of 4-pentyl-N-[2-[5-(1H-pyrrol-2-yl)-1H-indol-3-yl]ethyl]benzenesulfonamide?
4-pentyl-N-[2-[5-(1H-pyrrol-2-yl)-1H-indol-3-yl]ethyl]benzenesulfonamide has a molecular weight of 435.59 g/mol, XLogP of 5.42, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-N-[2-[5-(1H-pyrrol-2-yl)-1H-indol-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 24825397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).