2-chloro-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethyl-1H-indole-5-sulfonamide

C23H17ClN6O2S — CID 12001730

IUPAC2-chloro-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethyl-1H-indole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2[nH]c(Cl)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2c1
InChIInChI=1S/C23H17ClN6O2S/c1-30(2)33(31,32)12-7-8-16-15(11-12)17(22(24)27-16)23-28-20-13-5-3-9-25-18(13)19-14(21(20)29-23)6-4-10-26-19/h3-11,27H,1-2H3,(H,28,29)
InChIKeyIQTUGEJXQPTUCC-UHFFFAOYSA-N
MW476.95 g/mol
LogP4.71
Rot. Bonds3

About 2-chloro-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethyl-1H-indole-5-sulfonamide

2-chloro-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethyl-1H-indole-5-sulfonamide (PubChem CID 12001730) has the molecular formula C23H17ClN6O2S and a molecular weight of 476.95 g/mol. Its IUPAC name is 2-chloro-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethyl-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethyl-1H-indole-5-sulfonamide
PubChem CID12001730
Molecular FormulaC23H17ClN6O2S
Molecular Weight476.95 g/mol
Exact Mass476.08
IUPAC Name2-chloro-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethyl-1H-indole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2[nH]c(Cl)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2c1
InChIInChI=1S/C23H17ClN6O2S/c1-30(2)33(31,32)12-7-8-16-15(11-12)17(22(24)27-16)23-28-20-13-5-3-9-25-18(13)19-14(21(20)29-23)6-4-10-26-19/h3-11,27H,1-2H3,(H,28,29)
InChIKeyIQTUGEJXQPTUCC-UHFFFAOYSA-N
XLogP4.71
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.95
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethyl-1H-indole-5-sulfonamide?
The IUPAC name of 2-chloro-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethyl-1H-indole-5-sulfonamide (CID 12001730) is 2-chloro-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethyl-1H-indole-5-sulfonamide.
What is the SMILES notation for 2-chloro-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethyl-1H-indole-5-sulfonamide?
The canonical SMILES for 2-chloro-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethyl-1H-indole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2[nH]c(Cl)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2c1.
What is the InChIKey of 2-chloro-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethyl-1H-indole-5-sulfonamide?
The InChIKey is IQTUGEJXQPTUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN6O2S/c1-30(2)33(31,32)12-7-8-16-15(11-12)17(22(24)27-16)23-28-20-13-5-3-9-25-18(13)19-14(21(20)29-23)6-4-10-26-19/h3-11,27H,1-2H3,(H,28,29).
What are the key properties of 2-chloro-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethyl-1H-indole-5-sulfonamide?
2-chloro-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethyl-1H-indole-5-sulfonamide has a molecular weight of 476.95 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethyl-1H-indole-5-sulfonamide is sourced from PubChem (CID 12001730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).