2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(6-fluoro-3-methyl-3a,7a-dihydroindol-1-yl)propan-2-yl]benzenesulfonamide

C18H17Cl2F4N3O2S — CID 89126480

IUPAC2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(6-fluoro-3-methyl-3a,7a-dihydroindol-1-yl)propan-2-yl]benzenesulfonamide
SMILESCC1=CN(CC(NS(=O)(=O)c2c(N)cc(Cl)cc2Cl)C(F)(F)F)C2C=C(F)C=CC12
InChIInChI=1S/C18H17Cl2F4N3O2S/c1-9-7-27(15-6-11(21)2-3-12(9)15)8-16(18(22,23)24)26-30(28,29)17-13(20)4-10(19)5-14(17)25/h2-7,12,15-16,26H,8,25H2,1H3
InChIKeyHRCGYYULFQDQRW-UHFFFAOYSA-N
MW486.32 g/mol
LogP4.41
Rot. Bonds5

About 2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(6-fluoro-3-methyl-3a,7a-dihydroindol-1-yl)propan-2-yl]benzenesulfonamide

2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(6-fluoro-3-methyl-3a,7a-dihydroindol-1-yl)propan-2-yl]benzenesulfonamide (PubChem CID 89126480) has the molecular formula C18H17Cl2F4N3O2S and a molecular weight of 486.32 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(6-fluoro-3-methyl-3a,7a-dihydroindol-1-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(6-fluoro-3-methyl-3a,7a-dihydroindol-1-yl)propan-2-yl]benzenesulfonamide
PubChem CID89126480
Molecular FormulaC18H17Cl2F4N3O2S
Molecular Weight486.32 g/mol
Exact Mass485.04
IUPAC Name2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(6-fluoro-3-methyl-3a,7a-dihydroindol-1-yl)propan-2-yl]benzenesulfonamide
SMILESCC1=CN(CC(NS(=O)(=O)c2c(N)cc(Cl)cc2Cl)C(F)(F)F)C2C=C(F)C=CC12
InChIInChI=1S/C18H17Cl2F4N3O2S/c1-9-7-27(15-6-11(21)2-3-12(9)15)8-16(18(22,23)24)26-30(28,29)17-13(20)4-10(19)5-14(17)25/h2-7,12,15-16,26H,8,25H2,1H3
InChIKeyHRCGYYULFQDQRW-UHFFFAOYSA-N
XLogP4.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.32
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(6-fluoro-3-methyl-3a,7a-dihydroindol-1-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(6-fluoro-3-methyl-3a,7a-dihydroindol-1-yl)propan-2-yl]benzenesulfonamide (CID 89126480) is 2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(6-fluoro-3-methyl-3a,7a-dihydroindol-1-yl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(6-fluoro-3-methyl-3a,7a-dihydroindol-1-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(6-fluoro-3-methyl-3a,7a-dihydroindol-1-yl)propan-2-yl]benzenesulfonamide is CC1=CN(CC(NS(=O)(=O)c2c(N)cc(Cl)cc2Cl)C(F)(F)F)C2C=C(F)C=CC12.
What is the InChIKey of 2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(6-fluoro-3-methyl-3a,7a-dihydroindol-1-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is HRCGYYULFQDQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2F4N3O2S/c1-9-7-27(15-6-11(21)2-3-12(9)15)8-16(18(22,23)24)26-30(28,29)17-13(20)4-10(19)5-14(17)25/h2-7,12,15-16,26H,8,25H2,1H3.
What are the key properties of 2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(6-fluoro-3-methyl-3a,7a-dihydroindol-1-yl)propan-2-yl]benzenesulfonamide?
2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(6-fluoro-3-methyl-3a,7a-dihydroindol-1-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 486.32 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-[1,1,1-trifluoro-3-(6-fluoro-3-methyl-3a,7a-dihydroindol-1-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 89126480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).