6-amino-N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-3-sulfonamide

C12H12F3N3O2S — CID 106208511

IUPAC6-amino-N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-3-sulfonamide
SMILESNc1ccc2c(S(=O)(=O)NC3(C(F)(F)F)CC3)c[nH]c2c1
InChIInChI=1S/C12H12F3N3O2S/c13-12(14,15)11(3-4-11)18-21(19,20)10-6-17-9-5-7(16)1-2-8(9)10/h1-2,5-6,17-18H,3-4,16H2
InChIKeyIIAMJNXNTBSXOR-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.12
Rot. Bonds3

About 6-amino-N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-3-sulfonamide

6-amino-N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-3-sulfonamide (PubChem CID 106208511) has the molecular formula C12H12F3N3O2S and a molecular weight of 319.31 g/mol. Its IUPAC name is 6-amino-N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-3-sulfonamide
PubChem CID106208511
Molecular FormulaC12H12F3N3O2S
Molecular Weight319.31 g/mol
Exact Mass319.06
IUPAC Name6-amino-N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-3-sulfonamide
SMILESNc1ccc2c(S(=O)(=O)NC3(C(F)(F)F)CC3)c[nH]c2c1
InChIInChI=1S/C12H12F3N3O2S/c13-12(14,15)11(3-4-11)18-21(19,20)10-6-17-9-5-7(16)1-2-8(9)10/h1-2,5-6,17-18H,3-4,16H2
InChIKeyIIAMJNXNTBSXOR-UHFFFAOYSA-N
XLogP2.12
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-amino-N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 106208573
5-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208576
6-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indole-3-sulfonamide
CID 106289403
2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 114158366
6-amino-N-(cyclobutylmethyl)-1H-indole-3-sulfonamide
CID 66000332
6-amino-N-(3-methylbut-2-enyl)-1H-indole-3-sulfonamide
CID 106180453
6-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-indole-3-sulfonamide
CID 80727103
5-amino-3-bromo-2-fluoro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208595
2-[(6-amino-1H-indol-3-yl)sulfonylamino]ethyl carbamate
CID 83202971
6-amino-N-(2-methoxypropyl)-1H-indole-3-sulfonamide
CID 102694358
6-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-indole-3-sulfonamide
CID 80715128
3-amino-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208517

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-3-sulfonamide?
The IUPAC name of 6-amino-N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-3-sulfonamide (CID 106208511) is 6-amino-N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-amino-N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-3-sulfonamide?
The canonical SMILES for 6-amino-N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-3-sulfonamide is Nc1ccc2c(S(=O)(=O)NC3(C(F)(F)F)CC3)c[nH]c2c1.
What is the InChIKey of 6-amino-N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-3-sulfonamide?
The InChIKey is IIAMJNXNTBSXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2S/c13-12(14,15)11(3-4-11)18-21(19,20)10-6-17-9-5-7(16)1-2-8(9)10/h1-2,5-6,17-18H,3-4,16H2.
What are the key properties of 6-amino-N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-3-sulfonamide?
6-amino-N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-3-sulfonamide has a molecular weight of 319.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 106208511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).