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

C19H19Cl2N3O3S2 — CID 164863600

IUPACN-(3,4-dichloro-1H-indol-7-yl)-4-piperidin-1-ylsulfinylbenzenesulfonamide
SMILESO=S(c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1)N1CCCCC1
InChIInChI=1S/C19H19Cl2N3O3S2/c20-15-8-9-17(19-18(15)16(21)12-22-19)23-29(26,27)14-6-4-13(5-7-14)28(25)24-10-2-1-3-11-24/h4-9,12,22-23H,1-3,10-11H2
InChIKeyYSBFMPVGJCSFAM-UHFFFAOYSA-N
MW472.42 g/mol
LogP4.78
Rot. Bonds5

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

N-(3,4-dichloro-1H-indol-7-yl)-4-piperidin-1-ylsulfinylbenzenesulfonamide (PubChem CID 164863600) has the molecular formula C19H19Cl2N3O3S2 and a molecular weight of 472.42 g/mol. Its IUPAC name is N-(3,4-dichloro-1H-indol-7-yl)-4-piperidin-1-ylsulfinylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dichloro-1H-indol-7-yl)-4-piperidin-1-ylsulfinylbenzenesulfonamide
PubChem CID164863600
Molecular FormulaC19H19Cl2N3O3S2
Molecular Weight472.42 g/mol
Exact Mass471.02
IUPAC NameN-(3,4-dichloro-1H-indol-7-yl)-4-piperidin-1-ylsulfinylbenzenesulfonamide
SMILESO=S(c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1)N1CCCCC1
InChIInChI=1S/C19H19Cl2N3O3S2/c20-15-8-9-17(19-18(15)16(21)12-22-19)23-29(26,27)14-6-4-13(5-7-14)28(25)24-10-2-1-3-11-24/h4-9,12,22-23H,1-3,10-11H2
InChIKeyYSBFMPVGJCSFAM-UHFFFAOYSA-N
XLogP4.78
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide
CID 22228546
4-(1,4-diazepan-1-ylsulfinyl)-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfinamide
CID 164863587
N-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 164863639
N-(3,4-dichloro-1H-indol-7-yl)-1H-pyrazole-4-sulfonamide
CID 155193461
N-(3,4-dichloro-1H-indol-7-yl)-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfonylbenzenesulfonamide
CID 164863841
4-(4-aminocyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide
CID 164877468
N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propylacetamide
CID 164863909
methyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate
CID 164863691
N-(3,4-dichloro-1H-indol-7-yl)-4-[3-(triazol-1-yl)pyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 164863913
2-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]benzenesulfonyl fluoride
CID 175760561
3-cyano-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide
CID 164863478
N-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 155193283

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichloro-1H-indol-7-yl)-4-piperidin-1-ylsulfinylbenzenesulfonamide?
The IUPAC name of N-(3,4-dichloro-1H-indol-7-yl)-4-piperidin-1-ylsulfinylbenzenesulfonamide (CID 164863600) is N-(3,4-dichloro-1H-indol-7-yl)-4-piperidin-1-ylsulfinylbenzenesulfonamide.
What is the SMILES notation for N-(3,4-dichloro-1H-indol-7-yl)-4-piperidin-1-ylsulfinylbenzenesulfonamide?
The canonical SMILES for N-(3,4-dichloro-1H-indol-7-yl)-4-piperidin-1-ylsulfinylbenzenesulfonamide is O=S(c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1)N1CCCCC1.
What is the InChIKey of N-(3,4-dichloro-1H-indol-7-yl)-4-piperidin-1-ylsulfinylbenzenesulfonamide?
The InChIKey is YSBFMPVGJCSFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O3S2/c20-15-8-9-17(19-18(15)16(21)12-22-19)23-29(26,27)14-6-4-13(5-7-14)28(25)24-10-2-1-3-11-24/h4-9,12,22-23H,1-3,10-11H2.
What are the key properties of N-(3,4-dichloro-1H-indol-7-yl)-4-piperidin-1-ylsulfinylbenzenesulfonamide?
N-(3,4-dichloro-1H-indol-7-yl)-4-piperidin-1-ylsulfinylbenzenesulfonamide has a molecular weight of 472.42 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichloro-1H-indol-7-yl)-4-piperidin-1-ylsulfinylbenzenesulfonamide is sourced from PubChem (CID 164863600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).