6-(6-cyclopropyl-1-methylindol-2-yl)-N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

C23H24F3N3O2S — CID 91193826

IUPAC6-(6-cyclopropyl-1-methylindol-2-yl)-N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
SMILESC=CCN(C(C)C(F)(F)F)S(=O)(=O)c1ccc(-c2cc3ccc(C4CC4)cc3n2C)nc1
InChIInChI=1S/C23H24F3N3O2S/c1-4-11-29(15(2)23(24,25)26)32(30,31)19-9-10-20(27-14-19)22-13-18-8-7-17(16-5-6-16)12-21(18)28(22)3/h4,7-10,12-16H,1,5-6,11H2,2-3H3
InChIKeyGGOWRMRTLALABW-UHFFFAOYSA-N
MW463.53 g/mol
LogP5.25
Rot. Bonds7

About 6-(6-cyclopropyl-1-methylindol-2-yl)-N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

6-(6-cyclopropyl-1-methylindol-2-yl)-N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 91193826) has the molecular formula C23H24F3N3O2S and a molecular weight of 463.53 g/mol. Its IUPAC name is 6-(6-cyclopropyl-1-methylindol-2-yl)-N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(6-cyclopropyl-1-methylindol-2-yl)-N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
PubChem CID91193826
Molecular FormulaC23H24F3N3O2S
Molecular Weight463.53 g/mol
Exact Mass463.15
IUPAC Name6-(6-cyclopropyl-1-methylindol-2-yl)-N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
SMILESC=CCN(C(C)C(F)(F)F)S(=O)(=O)c1ccc(-c2cc3ccc(C4CC4)cc3n2C)nc1
InChIInChI=1S/C23H24F3N3O2S/c1-4-11-29(15(2)23(24,25)26)32(30,31)19-9-10-20(27-14-19)22-13-18-8-7-17(16-5-6-16)12-21(18)28(22)3/h4,7-10,12-16H,1,5-6,11H2,2-3H3
InChIKeyGGOWRMRTLALABW-UHFFFAOYSA-N
XLogP5.25
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(6-cyclopropyl-1-methylindol-2-yl)-N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-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

1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
4-[3-(2-Dimethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
CID 23757270
N-benzenesulfonylgramine antagonist, 8
CID 11723168
1-Benzenesulfonyl-3-piperidin-4-yl-1H-indole
CID 44388931
1-(4-Fluoro-benzenesulfonyl)-3-(1-methyl-pyrrolidin-3-yl)-1H-indole
CID 9924959
4-(4-Methyl-1-piperazinyl)-1-(phenylsulfonyl)-1H-indole
CID 10108884
1-(4-Iodo-benzenesulfonyl)-3-(1-methyl-pyrrolidin-3-yl)-1H-indole
CID 10115854
1-(Benzenesulfonyl)-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole
CID 11187925
3-(4-Chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonylindole
CID 11372738
(R)-3-(1-methyl-2-pyrrolidinylmethyl)-1-phenylsulfonylindole
CID 11624561
1-(4-Fluorobenzenesulfonyl)-3-(4-methylpiperazin-1-yl)-1h-indole
CID 23624297
1H-Indole, 1-[[4-(1-methylethyl)phenyl]sulfonyl]-3-(4-methyl-1-piperazinyl)-
CID 23653135

Frequently Asked Questions

What is the IUPAC name of 6-(6-cyclopropyl-1-methylindol-2-yl)-N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(6-cyclopropyl-1-methylindol-2-yl)-N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (CID 91193826) is 6-(6-cyclopropyl-1-methylindol-2-yl)-N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(6-cyclopropyl-1-methylindol-2-yl)-N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(6-cyclopropyl-1-methylindol-2-yl)-N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is C=CCN(C(C)C(F)(F)F)S(=O)(=O)c1ccc(-c2cc3ccc(C4CC4)cc3n2C)nc1.
What is the InChIKey of 6-(6-cyclopropyl-1-methylindol-2-yl)-N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is GGOWRMRTLALABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2S/c1-4-11-29(15(2)23(24,25)26)32(30,31)19-9-10-20(27-14-19)22-13-18-8-7-17(16-5-6-16)12-21(18)28(22)3/h4,7-10,12-16H,1,5-6,11H2,2-3H3.
What are the key properties of 6-(6-cyclopropyl-1-methylindol-2-yl)-N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
6-(6-cyclopropyl-1-methylindol-2-yl)-N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 463.53 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-cyclopropyl-1-methylindol-2-yl)-N-prop-2-enyl-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 91193826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).