2-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]benzenesulfonyl fluoride

C14H9Cl2FN2O4S2 — CID 175760561

IUPAC2-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccccc1S(=O)(=O)Nc1ccc(Cl)c2c(Cl)c[nH]c12
InChIInChI=1S/C14H9Cl2FN2O4S2/c15-8-5-6-10(14-13(8)9(16)7-18-14)19-25(22,23)12-4-2-1-3-11(12)24(17,20)21/h1-7,18-19H
InChIKeyLAGSVRLHSCIIQC-UHFFFAOYSA-N
MW423.27 g/mol
LogP3.93
Rot. Bonds4

About 2-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]benzenesulfonyl fluoride

2-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]benzenesulfonyl fluoride (PubChem CID 175760561) has the molecular formula C14H9Cl2FN2O4S2 and a molecular weight of 423.27 g/mol. Its IUPAC name is 2-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]benzenesulfonyl fluoride
PubChem CID175760561
Molecular FormulaC14H9Cl2FN2O4S2
Molecular Weight423.27 g/mol
Exact Mass421.94
IUPAC Name2-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccccc1S(=O)(=O)Nc1ccc(Cl)c2c(Cl)c[nH]c12
InChIInChI=1S/C14H9Cl2FN2O4S2/c15-8-5-6-10(14-13(8)9(16)7-18-14)19-25(22,23)12-4-2-1-3-11(12)24(17,20)21/h1-7,18-19H
InChIKeyLAGSVRLHSCIIQC-UHFFFAOYSA-N
XLogP3.93
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.27
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]benzenesulfonyl fluoride?
The IUPAC name of 2-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]benzenesulfonyl fluoride (CID 175760561) is 2-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]benzenesulfonyl fluoride.
What is the SMILES notation for 2-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]benzenesulfonyl fluoride?
The canonical SMILES for 2-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]benzenesulfonyl fluoride is O=S(=O)(F)c1ccccc1S(=O)(=O)Nc1ccc(Cl)c2c(Cl)c[nH]c12.
What is the InChIKey of 2-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]benzenesulfonyl fluoride?
The InChIKey is LAGSVRLHSCIIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2O4S2/c15-8-5-6-10(14-13(8)9(16)7-18-14)19-25(22,23)12-4-2-1-3-11(12)24(17,20)21/h1-7,18-19H.
What are the key properties of 2-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]benzenesulfonyl fluoride?
2-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]benzenesulfonyl fluoride has a molecular weight of 423.27 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]benzenesulfonyl fluoride is sourced from PubChem (CID 175760561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).