4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide

C16H18ClN3O3S — CID 135309898

IUPAC4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(=O)C1CCc2c(Cl)cccc21
InChIInChI=1S/C16H18ClN3O3S/c1-9-15(10(2)20(3)18-9)24(22,23)19-16(21)13-8-7-12-11(13)5-4-6-14(12)17/h4-6,13H,7-8H2,1-3H3,(H,19,21)
InChIKeyLNPXVLRLIKGGGG-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.23
Rot. Bonds3

About 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide

4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 135309898) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID135309898
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(=O)C1CCc2c(Cl)cccc21
InChIInChI=1S/C16H18ClN3O3S/c1-9-15(10(2)20(3)18-9)24(22,23)19-16(21)13-8-7-12-11(13)5-4-6-14(12)17/h4-6,13H,7-8H2,1-3H3,(H,19,21)
InChIKeyLNPXVLRLIKGGGG-UHFFFAOYSA-N
XLogP2.23
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[[5-chloro-2-(2-cyclopentylethyl)phenyl]methyl]-5-methylpyrazol-3-yl]-N-(trifluoromethylsulfonyl)propanamide
CID 89578359
2-[4-(3-chloro-4-cyclopropylphenyl)-2,6-di(propan-2-yl)phenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide
CID 166008200
2-[4-(3-chloro-4-cyclopropylphenyl)-2-ethyl-6-methylphenyl]-N-[[1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]sulfonyl]acetamide
CID 170143948
N-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide
CID 138032424
3-(3-Chloro-4-methylphenyl)-3-[5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide
CID 69148686
N-(2-methylphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide
CID 135309681
4-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
CID 135310282
(2R)-1-[5-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-2-phenylpropan-1-one
CID 146530031
2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonylacetamide
CID 155429276
2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonylacetamide
CID 155429284
2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
CID 155429292
2-[4-chloro-2,6-di(propan-2-yl)phenyl]-N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
CID 155429299

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide (CID 135309898) is 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide is Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)C1CCc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is LNPXVLRLIKGGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-9-15(10(2)20(3)18-9)24(22,23)19-16(21)13-8-7-12-11(13)5-4-6-14(12)17/h4-6,13H,7-8H2,1-3H3,(H,19,21).
What are the key properties of 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 367.86 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 135309898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).