1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide

C22H26N2O3S — CID 53105806

IUPAC1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)c1
InChIInChI=1S/C22H26N2O3S/c1-14-9-15(2)11-17(10-14)23-28(26,27)18-7-8-20-19(12-18)22(3,4)13-24(20)21(25)16-5-6-16/h7-12,16,23H,5-6,13H2,1-4H3
InChIKeyFTLCWJHXUDBIJT-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.14
Rot. Bonds4

About 1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide

1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide (PubChem CID 53105806) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
PubChem CID53105806
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)c1
InChIInChI=1S/C22H26N2O3S/c1-14-9-15(2)11-17(10-14)23-28(26,27)18-7-8-20-19(12-18)22(3,4)13-24(20)21(25)16-5-6-16/h7-12,16,23H,5-6,13H2,1-4H3
InChIKeyFTLCWJHXUDBIJT-UHFFFAOYSA-N
XLogP4.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-3,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-2H-indole-5-sulfonamide
CID 53105827
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-[(2-chlorophenyl)methyl]-1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105751
N-(4-methoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105628
1-acetyl-N-(2-bromo-4-methylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105564
N-(3,5-dimethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105642
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
methyl 4-[[3,3-dimethyl-1-(2-methylpropanoyl)-2H-indol-5-yl]sulfonylamino]benzoate
CID 53105722
N-(3-acetylphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105681
1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361748

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide (CID 53105806) is 1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)c1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide?
The InChIKey is FTLCWJHXUDBIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-14-9-15(2)11-17(10-14)23-28(26,27)18-7-8-20-19(12-18)22(3,4)13-24(20)21(25)16-5-6-16/h7-12,16,23H,5-6,13H2,1-4H3.
What are the key properties of 1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide?
1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide has a molecular weight of 398.53 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide is sourced from PubChem (CID 53105806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).