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

C21H23FN2O3S — CID 53105815

IUPAC1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide
SMILESCC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc21
InChIInChI=1S/C21H23FN2O3S/c1-21(2)13-24(20(25)15-5-6-15)19-10-9-17(11-18(19)21)28(26,27)23-12-14-3-7-16(22)8-4-14/h3-4,7-11,15,23H,5-6,12-13H2,1-2H3
InChIKeyURIAIRLYFOMKQW-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.34
Rot. Bonds5

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

1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide (PubChem CID 53105815) has the molecular formula C21H23FN2O3S and a molecular weight of 402.49 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide
PubChem CID53105815
Molecular FormulaC21H23FN2O3S
Molecular Weight402.49 g/mol
Exact Mass402.14
IUPAC Name1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide
SMILESCC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc21
InChIInChI=1S/C21H23FN2O3S/c1-21(2)13-24(20(25)15-5-6-15)19-10-9-17(11-18(19)21)28(26,27)23-12-14-3-7-16(22)8-4-14/h3-4,7-11,15,23H,5-6,12-13H2,1-2H3
InChIKeyURIAIRLYFOMKQW-UHFFFAOYSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-3,3-dimethyl-N-(pyridin-3-ylmethyl)-2H-indole-5-sulfonamide
CID 53105744
N-[(2-chlorophenyl)methyl]-1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105751
1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105806
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-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105579
N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 6621773
ethyl 1-[[1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indol-5-yl]sulfonyl]piperidine-4-carboxylate
CID 53105768
N-(4-fluoro-2-methylphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105711
1,3,3-trimethyl-2-oxo-N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]indole-5-sulfonamide
CID 20901007
N-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 53280909
N-[(4-fluorophenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886481

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide (CID 53105815) is 1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide is CC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc21.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide?
The InChIKey is URIAIRLYFOMKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3S/c1-21(2)13-24(20(25)15-5-6-15)19-10-9-17(11-18(19)21)28(26,27)23-12-14-3-7-16(22)8-4-14/h3-4,7-11,15,23H,5-6,12-13H2,1-2H3.
What are the key properties of 1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide?
1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide has a molecular weight of 402.49 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide is sourced from PubChem (CID 53105815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).