2-amino-4,6-dichloro-N-[3,3,4,4,4-pentafluoro-1-(5-methyl-1H-indol-3-yl)butan-2-yl]benzenesulfonamide

C19H16Cl2F5N3O2S — CID 57473918

IUPAC2-amino-4,6-dichloro-N-[3,3,4,4,4-pentafluoro-1-(5-methyl-1H-indol-3-yl)butan-2-yl]benzenesulfonamide
SMILESCc1ccc2[nH]cc(CC(NS(=O)(=O)c3c(N)cc(Cl)cc3Cl)C(F)(F)C(F)(F)F)c2c1
InChIInChI=1S/C19H16Cl2F5N3O2S/c1-9-2-3-15-12(4-9)10(8-28-15)5-16(18(22,23)19(24,25)26)29-32(30,31)17-13(21)6-11(20)7-14(17)27/h2-4,6-8,16,28-29H,5,27H2,1H3
InChIKeyGGGUWZPNGWAGDI-UHFFFAOYSA-N
MW516.32 g/mol
LogP5.45
Rot. Bonds6

About 2-amino-4,6-dichloro-N-[3,3,4,4,4-pentafluoro-1-(5-methyl-1H-indol-3-yl)butan-2-yl]benzenesulfonamide

2-amino-4,6-dichloro-N-[3,3,4,4,4-pentafluoro-1-(5-methyl-1H-indol-3-yl)butan-2-yl]benzenesulfonamide (PubChem CID 57473918) has the molecular formula C19H16Cl2F5N3O2S and a molecular weight of 516.32 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-[3,3,4,4,4-pentafluoro-1-(5-methyl-1H-indol-3-yl)butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-[3,3,4,4,4-pentafluoro-1-(5-methyl-1H-indol-3-yl)butan-2-yl]benzenesulfonamide
PubChem CID57473918
Molecular FormulaC19H16Cl2F5N3O2S
Molecular Weight516.32 g/mol
Exact Mass515.03
IUPAC Name2-amino-4,6-dichloro-N-[3,3,4,4,4-pentafluoro-1-(5-methyl-1H-indol-3-yl)butan-2-yl]benzenesulfonamide
SMILESCc1ccc2[nH]cc(CC(NS(=O)(=O)c3c(N)cc(Cl)cc3Cl)C(F)(F)C(F)(F)F)c2c1
InChIInChI=1S/C19H16Cl2F5N3O2S/c1-9-2-3-15-12(4-9)10(8-28-15)5-16(18(22,23)19(24,25)26)29-32(30,31)17-13(21)6-11(20)7-14(17)27/h2-4,6-8,16,28-29H,5,27H2,1H3
InChIKeyGGGUWZPNGWAGDI-UHFFFAOYSA-N
XLogP5.45
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.32
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-[3,3,4,4,4-pentafluoro-1-(5-methyl-1H-indol-3-yl)butan-2-yl]benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-[3,3,4,4,4-pentafluoro-1-(5-methyl-1H-indol-3-yl)butan-2-yl]benzenesulfonamide (CID 57473918) is 2-amino-4,6-dichloro-N-[3,3,4,4,4-pentafluoro-1-(5-methyl-1H-indol-3-yl)butan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-[3,3,4,4,4-pentafluoro-1-(5-methyl-1H-indol-3-yl)butan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-[3,3,4,4,4-pentafluoro-1-(5-methyl-1H-indol-3-yl)butan-2-yl]benzenesulfonamide is Cc1ccc2[nH]cc(CC(NS(=O)(=O)c3c(N)cc(Cl)cc3Cl)C(F)(F)C(F)(F)F)c2c1.
What is the InChIKey of 2-amino-4,6-dichloro-N-[3,3,4,4,4-pentafluoro-1-(5-methyl-1H-indol-3-yl)butan-2-yl]benzenesulfonamide?
The InChIKey is GGGUWZPNGWAGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2F5N3O2S/c1-9-2-3-15-12(4-9)10(8-28-15)5-16(18(22,23)19(24,25)26)29-32(30,31)17-13(21)6-11(20)7-14(17)27/h2-4,6-8,16,28-29H,5,27H2,1H3.
What are the key properties of 2-amino-4,6-dichloro-N-[3,3,4,4,4-pentafluoro-1-(5-methyl-1H-indol-3-yl)butan-2-yl]benzenesulfonamide?
2-amino-4,6-dichloro-N-[3,3,4,4,4-pentafluoro-1-(5-methyl-1H-indol-3-yl)butan-2-yl]benzenesulfonamide has a molecular weight of 516.32 g/mol, XLogP of 5.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-[3,3,4,4,4-pentafluoro-1-(5-methyl-1H-indol-3-yl)butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 57473918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).