4-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide

C17H19Cl2N3O3S — CID 135310282

IUPAC4-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2c(C)nn(C)c2Cl)CCc2c(Cl)cccc21
InChIInChI=1S/C17H19Cl2N3O3S/c1-4-17(9-8-11-12(17)6-5-7-13(11)18)16(23)21-26(24,25)14-10(2)20-22(3)15(14)19/h5-7H,4,8-9H2,1-3H3,(H,21,23)
InChIKeyYTIXIIOEQADFMQ-UHFFFAOYSA-N
MW416.33 g/mol
LogP3.13
Rot. Bonds4

About 4-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide

4-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide (PubChem CID 135310282) has the molecular formula C17H19Cl2N3O3S and a molecular weight of 416.33 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
PubChem CID135310282
Molecular FormulaC17H19Cl2N3O3S
Molecular Weight416.33 g/mol
Exact Mass415.05
IUPAC Name4-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2c(C)nn(C)c2Cl)CCc2c(Cl)cccc21
InChIInChI=1S/C17H19Cl2N3O3S/c1-4-17(9-8-11-12(17)6-5-7-13(11)18)16(23)21-26(24,25)14-10(2)20-22(3)15(14)19/h5-7H,4,8-9H2,1-3H3,(H,21,23)
InChIKeyYTIXIIOEQADFMQ-UHFFFAOYSA-N
XLogP3.13
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 135309902
N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-chlorophenyl)-N-ethylpropanamide
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5-chloro-N-[(2-chloro-6-methylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3826440
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CID 3862589
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CID 4669259
1-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylcyclobutane-1-carboxamide
CID 51086084
3-(3-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide
CID 52308469
4-(4-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbutanamide
CID 55823586
2-(3-chlorophenyl)-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide
CID 60334200
3-(4-chlorophenyl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide
CID 60493441
[1-(4-Chlorophenyl)cyclopentyl]-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 4-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide (CID 135310282) is 4-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 4-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide is CCC1(C(=O)NS(=O)(=O)c2c(C)nn(C)c2Cl)CCc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The InChIKey is YTIXIIOEQADFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O3S/c1-4-17(9-8-11-12(17)6-5-7-13(11)18)16(23)21-26(24,25)14-10(2)20-22(3)15(14)19/h5-7H,4,8-9H2,1-3H3,(H,21,23).
What are the key properties of 4-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
4-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide has a molecular weight of 416.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 135310282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).