1'-acetyl-2-cyclopropyl-N-(2,3-dichlorophenyl)-4-fluoro-1-(4-fluorocyclohexa-2,4-dien-1-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide

C30H29Cl2F2N3O4S — CID 123531908

IUPAC1'-acetyl-2-cyclopropyl-N-(2,3-dichlorophenyl)-4-fluoro-1-(4-fluorocyclohexa-2,4-dien-1-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
SMILESCC(=O)N1CCC2(CC1)c1c(ccc(C(=O)Nc3cccc(Cl)c3Cl)c1F)N(S(=O)(=O)C1C=CC(F)=CC1)C2C1CC1
InChIInChI=1S/C30H29Cl2F2N3O4S/c1-17(38)36-15-13-30(14-16-36)25-24(12-11-21(27(25)34)29(39)35-23-4-2-3-22(31)26(23)32)37(28(30)18-5-6-18)42(40,41)20-9-7-19(33)8-10-20/h2-4,7-9,11-12,18,20,28H,5-6,10,13-16H2,1H3,(H,35,39)
InChIKeyWZKHHFXEGJRWER-UHFFFAOYSA-N
MW636.55 g/mol
LogP6.38
Rot. Bonds5

About 1'-acetyl-2-cyclopropyl-N-(2,3-dichlorophenyl)-4-fluoro-1-(4-fluorocyclohexa-2,4-dien-1-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide

1'-acetyl-2-cyclopropyl-N-(2,3-dichlorophenyl)-4-fluoro-1-(4-fluorocyclohexa-2,4-dien-1-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide (PubChem CID 123531908) has the molecular formula C30H29Cl2F2N3O4S and a molecular weight of 636.55 g/mol. Its IUPAC name is 1'-acetyl-2-cyclopropyl-N-(2,3-dichlorophenyl)-4-fluoro-1-(4-fluorocyclohexa-2,4-dien-1-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide.

Molecular Properties

Compound Name1'-acetyl-2-cyclopropyl-N-(2,3-dichlorophenyl)-4-fluoro-1-(4-fluorocyclohexa-2,4-dien-1-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
PubChem CID123531908
Molecular FormulaC30H29Cl2F2N3O4S
Molecular Weight636.55 g/mol
Exact Mass635.12
IUPAC Name1'-acetyl-2-cyclopropyl-N-(2,3-dichlorophenyl)-4-fluoro-1-(4-fluorocyclohexa-2,4-dien-1-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
SMILESCC(=O)N1CCC2(CC1)c1c(ccc(C(=O)Nc3cccc(Cl)c3Cl)c1F)N(S(=O)(=O)C1C=CC(F)=CC1)C2C1CC1
InChIInChI=1S/C30H29Cl2F2N3O4S/c1-17(38)36-15-13-30(14-16-36)25-24(12-11-21(27(25)34)29(39)35-23-4-2-3-22(31)26(23)32)37(28(30)18-5-6-18)42(40,41)20-9-7-19(33)8-10-20/h2-4,7-9,11-12,18,20,28H,5-6,10,13-16H2,1H3,(H,35,39)
InChIKeyWZKHHFXEGJRWER-UHFFFAOYSA-N
XLogP6.38
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.55
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1'-acetyl-4-chloro-2-cyclopropyl-N-(2-fluorophenyl)-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
CID 118179253
1'-acetyl-N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
CID 118179044
1'-acetyl-N-(3-chlorophenyl)-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
CID 118179166
1'-acetyl-2-cyclopropyl-N-(2,5-dichloro-3-pyridinyl)-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
CID 118179114
methyl 2-cyclopropyl-4-fluoro-1-(4-fluorophenyl)sulfonyl-1'-oxospiro[2H-indole-3,4'-thiane]-5-carboxylate
CID 118146629
1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone
CID 43772128
N-(2,3-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642622
6-(4-acetylpiperazin-1-yl)-N-(2,3-dichlorophenyl)pyridazine-3-carboxamide
CID 109117200
N-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642431
2,4-dichloro-N-(2,3-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 55345927
N-(3-chloro-2-fluorophenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide
CID 43000218
2-[(1S,5S)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-(2,3-dichlorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-2-cyclopropyl-N-(2,3-dichlorophenyl)-4-fluoro-1-(4-fluorocyclohexa-2,4-dien-1-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide?
The IUPAC name of 1'-acetyl-2-cyclopropyl-N-(2,3-dichlorophenyl)-4-fluoro-1-(4-fluorocyclohexa-2,4-dien-1-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide (CID 123531908) is 1'-acetyl-2-cyclopropyl-N-(2,3-dichlorophenyl)-4-fluoro-1-(4-fluorocyclohexa-2,4-dien-1-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide.
What is the SMILES notation for 1'-acetyl-2-cyclopropyl-N-(2,3-dichlorophenyl)-4-fluoro-1-(4-fluorocyclohexa-2,4-dien-1-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide?
The canonical SMILES for 1'-acetyl-2-cyclopropyl-N-(2,3-dichlorophenyl)-4-fluoro-1-(4-fluorocyclohexa-2,4-dien-1-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide is CC(=O)N1CCC2(CC1)c1c(ccc(C(=O)Nc3cccc(Cl)c3Cl)c1F)N(S(=O)(=O)C1C=CC(F)=CC1)C2C1CC1.
What is the InChIKey of 1'-acetyl-2-cyclopropyl-N-(2,3-dichlorophenyl)-4-fluoro-1-(4-fluorocyclohexa-2,4-dien-1-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide?
The InChIKey is WZKHHFXEGJRWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29Cl2F2N3O4S/c1-17(38)36-15-13-30(14-16-36)25-24(12-11-21(27(25)34)29(39)35-23-4-2-3-22(31)26(23)32)37(28(30)18-5-6-18)42(40,41)20-9-7-19(33)8-10-20/h2-4,7-9,11-12,18,20,28H,5-6,10,13-16H2,1H3,(H,35,39).
What are the key properties of 1'-acetyl-2-cyclopropyl-N-(2,3-dichlorophenyl)-4-fluoro-1-(4-fluorocyclohexa-2,4-dien-1-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide?
1'-acetyl-2-cyclopropyl-N-(2,3-dichlorophenyl)-4-fluoro-1-(4-fluorocyclohexa-2,4-dien-1-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide has a molecular weight of 636.55 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetyl-2-cyclopropyl-N-(2,3-dichlorophenyl)-4-fluoro-1-(4-fluorocyclohexa-2,4-dien-1-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide is sourced from PubChem (CID 123531908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).