4-N-(3,4-dichloro-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfinamide

C19H20Cl2N4O2S2 — CID 164863730

IUPAC4-N-(3,4-dichloro-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfinamide
SMILESO=S(Nc1ccc(Cl)c2c(Cl)c[nH]c12)c1ccc(S(=O)NC2CCNCC2)cc1
InChIInChI=1S/C19H20Cl2N4O2S2/c20-15-5-6-17(19-18(15)16(21)11-23-19)25-29(27)14-3-1-13(2-4-14)28(26)24-12-7-9-22-10-8-12/h1-6,11-12,22-25H,7-10H2
InChIKeyPBYWUGHFLWOMIM-UHFFFAOYSA-N
MW471.44 g/mol
LogP3.97
Rot. Bonds6

About 4-N-(3,4-dichloro-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfinamide

4-N-(3,4-dichloro-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfinamide (PubChem CID 164863730) has the molecular formula C19H20Cl2N4O2S2 and a molecular weight of 471.44 g/mol. Its IUPAC name is 4-N-(3,4-dichloro-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfinamide.

Molecular Properties

Compound Name4-N-(3,4-dichloro-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfinamide
PubChem CID164863730
Molecular FormulaC19H20Cl2N4O2S2
Molecular Weight471.44 g/mol
Exact Mass470.04
IUPAC Name4-N-(3,4-dichloro-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfinamide
SMILESO=S(Nc1ccc(Cl)c2c(Cl)c[nH]c12)c1ccc(S(=O)NC2CCNCC2)cc1
InChIInChI=1S/C19H20Cl2N4O2S2/c20-15-5-6-17(19-18(15)16(21)11-23-19)25-29(27)14-3-1-13(2-4-14)28(26)24-12-7-9-22-10-8-12/h1-6,11-12,22-25H,7-10H2
InChIKeyPBYWUGHFLWOMIM-UHFFFAOYSA-N
XLogP3.97
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 53.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichloro-1H-indol-7-yl)-4-(1-formylpiperidin-4-yl)sulfinylbenzenesulfinamide
CID 167242226
N-(3,4-dichloro-1H-indol-7-yl)-4-[3-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]oxetan-3-yl]benzenesulfinamide
CID 167241760
4-N-(3-chloro-4-methyl-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfonamide
CID 164863611
4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide
CID 22228546
2-(3,4-dichloro-1H-indol-7-yl)-4-[difluoro(piperidin-4-yl)methyl]benzenesulfonamide
CID 175760531
3,4-dichloro-N-[(2-cyclopropyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine
CID 170949399
4-(4-aminocyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide
CID 164877468
4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-3-fluoro-N-[(3S)-6-oxopiperidin-3-yl]benzamide
CID 164877854
N-[(2,6-dichlorophenyl)methyl]piperidin-4-amine
CID 66519808
N-(3,4-dichloro-1H-indol-7-yl)-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfonylbenzenesulfonamide
CID 164863841
N-[5-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-methoxyphenyl]acetamide
CID 164863473
N-(2-chloro-4-nitrophenyl)piperidin-4-amine
CID 43345822

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dichloro-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfinamide?
The IUPAC name of 4-N-(3,4-dichloro-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfinamide (CID 164863730) is 4-N-(3,4-dichloro-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfinamide.
What is the SMILES notation for 4-N-(3,4-dichloro-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfinamide?
The canonical SMILES for 4-N-(3,4-dichloro-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfinamide is O=S(Nc1ccc(Cl)c2c(Cl)c[nH]c12)c1ccc(S(=O)NC2CCNCC2)cc1.
What is the InChIKey of 4-N-(3,4-dichloro-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfinamide?
The InChIKey is PBYWUGHFLWOMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O2S2/c20-15-5-6-17(19-18(15)16(21)11-23-19)25-29(27)14-3-1-13(2-4-14)28(26)24-12-7-9-22-10-8-12/h1-6,11-12,22-25H,7-10H2.
What are the key properties of 4-N-(3,4-dichloro-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfinamide?
4-N-(3,4-dichloro-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfinamide has a molecular weight of 471.44 g/mol, XLogP of 3.97, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dichloro-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfinamide is sourced from PubChem (CID 164863730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).