4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide

C14H11Cl2N3O4S2 — CID 22228546

IUPAC4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1
InChIInChI=1S/C14H11Cl2N3O4S2/c15-10-5-6-12(14-13(10)11(16)7-18-14)19-25(22,23)9-3-1-8(2-4-9)24(17,20)21/h1-7,18-19H,(H2,17,20,21)
InChIKeyAGOZRYFXJPSNFK-UHFFFAOYSA-N
MW420.30 g/mol
LogP2.92
Rot. Bonds4

About 4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide

4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide (PubChem CID 22228546) has the molecular formula C14H11Cl2N3O4S2 and a molecular weight of 420.30 g/mol. Its IUPAC name is 4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide
PubChem CID22228546
Molecular FormulaC14H11Cl2N3O4S2
Molecular Weight420.30 g/mol
Exact Mass418.96
IUPAC Name4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1
InChIInChI=1S/C14H11Cl2N3O4S2/c15-10-5-6-12(14-13(10)11(16)7-18-14)19-25(22,23)9-3-1-8(2-4-9)24(17,20)21/h1-7,18-19H,(H2,17,20,21)
InChIKeyAGOZRYFXJPSNFK-UHFFFAOYSA-N
XLogP2.92
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichloro-1H-indol-7-yl)-1H-pyrazole-4-sulfonamide
CID 155193461
N-(3,4-dichloro-1H-indol-7-yl)-4-piperidin-1-ylsulfinylbenzenesulfonamide
CID 164863600
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
N-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 164863639
4-amino-N-(3-chloro-4-cyano-1H-indol-7-yl)benzenesulfonamide
CID 11175421
methyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate
CID 164863691
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
4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide
CID 10268048
N-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 155193283
N-(3,4-dichloro-1H-indol-7-yl)-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfonylbenzenesulfonamide
CID 164863841

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide?
The IUPAC name of 4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide (CID 22228546) is 4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide?
The canonical SMILES for 4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1.
What is the InChIKey of 4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide?
The InChIKey is AGOZRYFXJPSNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O4S2/c15-10-5-6-12(14-13(10)11(16)7-18-14)19-25(22,23)9-3-1-8(2-4-9)24(17,20)21/h1-7,18-19H,(H2,17,20,21).
What are the key properties of 4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide?
4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide has a molecular weight of 420.30 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide is sourced from PubChem (CID 22228546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).