N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propylacetamide

C19H19Cl2N3O3S — CID 164863909

IUPACN-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propylacetamide
SMILESCCCN(C(C)=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1
InChIInChI=1S/C19H19Cl2N3O3S/c1-3-10-24(12(2)25)13-4-6-14(7-5-13)28(26,27)23-17-9-8-15(20)18-16(21)11-22-19(17)18/h4-9,11,22-23H,3,10H2,1-2H3
InChIKeyCEFZSXVXEXYESZ-UHFFFAOYSA-N
MW440.35 g/mol
LogP5.04
Rot. Bonds6

About N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propylacetamide

N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propylacetamide (PubChem CID 164863909) has the molecular formula C19H19Cl2N3O3S and a molecular weight of 440.35 g/mol. Its IUPAC name is N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propylacetamide
PubChem CID164863909
Molecular FormulaC19H19Cl2N3O3S
Molecular Weight440.35 g/mol
Exact Mass439.05
IUPAC NameN-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propylacetamide
SMILESCCCN(C(C)=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1
InChIInChI=1S/C19H19Cl2N3O3S/c1-3-10-24(12(2)25)13-4-6-14(7-5-13)28(26,27)23-17-9-8-15(20)18-16(21)11-22-19(17)18/h4-9,11,22-23H,3,10H2,1-2H3
InChIKeyCEFZSXVXEXYESZ-UHFFFAOYSA-N
XLogP5.04
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.35
LogP ≤ 55.04
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
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)-1H-pyrazole-4-sulfonamide
CID 155193461
N-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 164863639
N-(3,4-dichloro-1H-indol-7-yl)-4-[N-ethyl-S-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]sulfonimidoyl]benzenesulfonamide
CID 164863565
N-(3,4-dichloro-1H-indol-7-yl)-4-piperidin-1-ylsulfinylbenzenesulfonamide
CID 164863600
N-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 155193283
3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-2-fluorobenzoic acid;ethane
CID 164877611
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
3-cyano-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide
CID 164863478
N-(3,4-dichloro-1H-indol-7-yl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide
CID 164877886

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propylacetamide?
The IUPAC name of N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propylacetamide (CID 164863909) is N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propylacetamide.
What is the SMILES notation for N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propylacetamide?
The canonical SMILES for N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propylacetamide is CCCN(C(C)=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1.
What is the InChIKey of N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propylacetamide?
The InChIKey is CEFZSXVXEXYESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O3S/c1-3-10-24(12(2)25)13-4-6-14(7-5-13)28(26,27)23-17-9-8-15(20)18-16(21)11-22-19(17)18/h4-9,11,22-23H,3,10H2,1-2H3.
What are the key properties of N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propylacetamide?
N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propylacetamide has a molecular weight of 440.35 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propylacetamide is sourced from PubChem (CID 164863909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).