2,4,6-trimethyl-N-(1,1,1-trifluoro-3-pyrrolo[2,3-c]pyridin-1-ylpropan-2-yl)benzenesulfonamide

C19H20F3N3O2S — CID 57473926

IUPAC2,4,6-trimethyl-N-(1,1,1-trifluoro-3-pyrrolo[2,3-c]pyridin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(Cn2ccc3ccncc32)C(F)(F)F)c(C)c1
InChIInChI=1S/C19H20F3N3O2S/c1-12-8-13(2)18(14(3)9-12)28(26,27)24-17(19(20,21)22)11-25-7-5-15-4-6-23-10-16(15)25/h4-10,17,24H,11H2,1-3H3
InChIKeyRMHCYCANBSZYCC-UHFFFAOYSA-N
MW411.45 g/mol
LogP3.87
Rot. Bonds5

About 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-pyrrolo[2,3-c]pyridin-1-ylpropan-2-yl)benzenesulfonamide

2,4,6-trimethyl-N-(1,1,1-trifluoro-3-pyrrolo[2,3-c]pyridin-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 57473926) has the molecular formula C19H20F3N3O2S and a molecular weight of 411.45 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-pyrrolo[2,3-c]pyridin-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(1,1,1-trifluoro-3-pyrrolo[2,3-c]pyridin-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID57473926
Molecular FormulaC19H20F3N3O2S
Molecular Weight411.45 g/mol
Exact Mass411.12
IUPAC Name2,4,6-trimethyl-N-(1,1,1-trifluoro-3-pyrrolo[2,3-c]pyridin-1-ylpropan-2-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(Cn2ccc3ccncc32)C(F)(F)F)c(C)c1
InChIInChI=1S/C19H20F3N3O2S/c1-12-8-13(2)18(14(3)9-12)28(26,27)24-17(19(20,21)22)11-25-7-5-15-4-6-23-10-16(15)25/h4-10,17,24H,11H2,1-3H3
InChIKeyRMHCYCANBSZYCC-UHFFFAOYSA-N
XLogP3.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(5-cyanoindol-1-yl)-1,1,1-trifluoropropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 11683513
methyl 1-[(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]butyl]indole-6-carboxylate
CID 25206594
methyl 1-[3,3,3-trifluoro-2-[(2,4,6-trimethylphenyl)sulfonylamino]propyl]indole-3-carboxylate
CID 57473954
N-[3-[3-(cyanomethyl)-5-methoxyindol-1-yl]-1,1,1-trifluoropropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 57474030
N-[3-(2,6-dimethylphenyl)sulfanyl-1,1,1-trifluoropropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 25168492
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[3-(trifluoromethoxy)phenoxy]propan-2-yl]benzenesulfonamide
CID 25168087
N-[3-(4-bromophenoxy)-1,1,1-trifluoropropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 25169426
N-[3-(4-chlorophenyl)sulfanyl-1,1,1-trifluoropropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 25168353
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylanilino)propan-2-yl]benzenesulfonamide
CID 59203613
2,4,6-trimethyl-N-(1,1,1-trifluoro-3-quinolin-4-yloxypropan-2-yl)benzenesulfonamide
CID 25161194
N-[3-(2-bromophenyl)sulfanyl-1,1,1-trifluoropropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 25168090
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(2,3,6-trifluorophenoxy)propan-2-yl]benzenesulfonamide
CID 25167684

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-pyrrolo[2,3-c]pyridin-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-pyrrolo[2,3-c]pyridin-1-ylpropan-2-yl)benzenesulfonamide (CID 57473926) is 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-pyrrolo[2,3-c]pyridin-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-pyrrolo[2,3-c]pyridin-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-pyrrolo[2,3-c]pyridin-1-ylpropan-2-yl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC(Cn2ccc3ccncc32)C(F)(F)F)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-pyrrolo[2,3-c]pyridin-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is RMHCYCANBSZYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2S/c1-12-8-13(2)18(14(3)9-12)28(26,27)24-17(19(20,21)22)11-25-7-5-15-4-6-23-10-16(15)25/h4-10,17,24H,11H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-pyrrolo[2,3-c]pyridin-1-ylpropan-2-yl)benzenesulfonamide?
2,4,6-trimethyl-N-(1,1,1-trifluoro-3-pyrrolo[2,3-c]pyridin-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 411.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-pyrrolo[2,3-c]pyridin-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 57473926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).