6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide

C11H11F4N3O2S — CID 106289403

IUPAC6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide
SMILESNc1ccc2c(S(=O)(=O)NCC(F)(F)C(F)F)c[nH]c2c1
InChIInChI=1S/C11H11F4N3O2S/c12-10(13)11(14,15)5-18-21(19,20)9-4-17-8-3-6(16)1-2-7(8)9/h1-4,10,17-18H,5,16H2
InChIKeyJTRKJWHWNNZZLK-UHFFFAOYSA-N
MW325.29 g/mol
LogP1.93
Rot. Bonds5

About 6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide

6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide (PubChem CID 106289403) has the molecular formula C11H11F4N3O2S and a molecular weight of 325.29 g/mol. Its IUPAC name is 6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide
PubChem CID106289403
Molecular FormulaC11H11F4N3O2S
Molecular Weight325.29 g/mol
Exact Mass325.05
IUPAC Name6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide
SMILESNc1ccc2c(S(=O)(=O)NCC(F)(F)C(F)F)c[nH]c2c1
InChIInChI=1S/C11H11F4N3O2S/c12-10(13)11(14,15)5-18-21(19,20)9-4-17-8-3-6(16)1-2-7(8)9/h1-4,10,17-18H,5,16H2
InChIKeyJTRKJWHWNNZZLK-UHFFFAOYSA-N
XLogP1.93
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 51.93
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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Related Compounds

6-amino-N-(2-methoxypropyl)-1H-indole-3-sulfonamide
CID 102694358
5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide
CID 65103687
6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide
CID 66000332
6-amino-N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-3-sulfonamide
CID 106208511
6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide
CID 106180453
2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate
CID 83202971
5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 106289392
4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide
CID 106293636
6-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-indole-3-sulfonamide
CID 80727103
5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide
CID 106242702
6-chloro-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide
CID 167859798
5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide
CID 64853230

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide (CID 106289403) is 6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide is Nc1ccc2c(S(=O)(=O)NCC(F)(F)C(F)F)c[nH]c2c1.
What is the InChIKey of 6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide?
The InChIKey is JTRKJWHWNNZZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N3O2S/c12-10(13)11(14,15)5-18-21(19,20)9-4-17-8-3-6(16)1-2-7(8)9/h1-4,10,17-18H,5,16H2.
What are the key properties of 6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide?
6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide has a molecular weight of 325.29 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 106289403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).