1-(cyclopropanecarbonyl)-3,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-2H-indole-5-sulfonamide

C21H21F3N2O3S — CID 53105827

IUPAC1-(cyclopropanecarbonyl)-3,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-2H-indole-5-sulfonamide
SMILESCC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C21H21F3N2O3S/c1-20(2)12-26(19(27)13-3-4-13)18-10-9-16(11-17(18)20)30(28,29)25-15-7-5-14(6-8-15)21(22,23)24/h5-11,13,25H,3-4,12H2,1-2H3
InChIKeyAKEWYRGVORLOAI-UHFFFAOYSA-N
MW438.47 g/mol
LogP4.54
Rot. Bonds4

About 1-(cyclopropanecarbonyl)-3,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-2H-indole-5-sulfonamide

1-(cyclopropanecarbonyl)-3,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-2H-indole-5-sulfonamide (PubChem CID 53105827) has the molecular formula C21H21F3N2O3S and a molecular weight of 438.47 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-3,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-2H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-3,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-2H-indole-5-sulfonamide
PubChem CID53105827
Molecular FormulaC21H21F3N2O3S
Molecular Weight438.47 g/mol
Exact Mass438.12
IUPAC Name1-(cyclopropanecarbonyl)-3,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-2H-indole-5-sulfonamide
SMILESCC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C21H21F3N2O3S/c1-20(2)12-26(19(27)13-3-4-13)18-10-9-16(11-17(18)20)30(28,29)25-15-7-5-14(6-8-15)21(22,23)24/h5-11,13,25H,3-4,12H2,1-2H3
InChIKeyAKEWYRGVORLOAI-UHFFFAOYSA-N
XLogP4.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105806
1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105742
1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105815
N-(4-methoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105628
N-[(2-chlorophenyl)methyl]-1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105751
1-(cyclopropanecarbonyl)-3,3-dimethyl-N-(pyridin-3-ylmethyl)-2H-indole-5-sulfonamide
CID 53105744
N-(3,5-dimethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105642
methyl N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamate
CID 21239301
1-acetyl-N-(2,6-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105534
ethyl 1-[[1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indol-5-yl]sulfonyl]piperidine-4-carboxylate
CID 53105768
N-(3-acetylphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105681
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 154934397

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-3,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-2H-indole-5-sulfonamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-3,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-2H-indole-5-sulfonamide (CID 53105827) is 1-(cyclopropanecarbonyl)-3,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-2H-indole-5-sulfonamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-3,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-2H-indole-5-sulfonamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-3,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-2H-indole-5-sulfonamide is CC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc21.
What is the InChIKey of 1-(cyclopropanecarbonyl)-3,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-2H-indole-5-sulfonamide?
The InChIKey is AKEWYRGVORLOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O3S/c1-20(2)12-26(19(27)13-3-4-13)18-10-9-16(11-17(18)20)30(28,29)25-15-7-5-14(6-8-15)21(22,23)24/h5-11,13,25H,3-4,12H2,1-2H3.
What are the key properties of 1-(cyclopropanecarbonyl)-3,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-2H-indole-5-sulfonamide?
1-(cyclopropanecarbonyl)-3,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-2H-indole-5-sulfonamide has a molecular weight of 438.47 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-3,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-2H-indole-5-sulfonamide is sourced from PubChem (CID 53105827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).