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

C18H16Cl3NO3S — CID 135309926

IUPAC4-chloro-N-(2,5-dichlorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2cc(Cl)ccc2Cl)CCc2c(Cl)cccc21
InChIInChI=1S/C18H16Cl3NO3S/c1-2-18(9-8-12-13(18)4-3-5-14(12)20)17(23)22-26(24,25)16-10-11(19)6-7-15(16)21/h3-7,10H,2,8-9H2,1H3,(H,22,23)
InChIKeyKUPASWZHRDESAJ-UHFFFAOYSA-N
MW432.76 g/mol
LogP4.75
Rot. Bonds4

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

4-chloro-N-(2,5-dichlorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide (PubChem CID 135309926) has the molecular formula C18H16Cl3NO3S and a molecular weight of 432.76 g/mol. Its IUPAC name is 4-chloro-N-(2,5-dichlorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-dichlorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
PubChem CID135309926
Molecular FormulaC18H16Cl3NO3S
Molecular Weight432.76 g/mol
Exact Mass430.99
IUPAC Name4-chloro-N-(2,5-dichlorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2cc(Cl)ccc2Cl)CCc2c(Cl)cccc21
InChIInChI=1S/C18H16Cl3NO3S/c1-2-18(9-8-12-13(18)4-3-5-14(12)20)17(23)22-26(24,25)16-10-11(19)6-7-15(16)21/h3-7,10H,2,8-9H2,1H3,(H,22,23)
InChIKeyKUPASWZHRDESAJ-UHFFFAOYSA-N
XLogP4.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.76
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-ethyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide
CID 135309744
2-chloro-6-[(4-chloro-1-ethyl-2,3-dihydroindene-1-carbonyl)sulfamoyl]benzoic acid
CID 135310161
4-chloro-N-(2-cyanophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
CID 135309752
methyl 2-chloro-6-[(4-chloro-1-ethyl-2,3-dihydroindene-1-carbonyl)sulfamoyl]benzoate
CID 135309894
4-chloro-N-[2-(difluoromethoxy)phenyl]sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
CID 135310140
4-chloro-N-naphthalen-1-ylsulfonyl-1-(2-pyrrolidin-1-ylethyl)-2,3-dihydroindene-1-carboxamide
CID 135309964
4-chloro-N-naphthalen-1-ylsulfonyl-1-(oxolan-3-ylmethyl)-2,3-dihydroindene-1-carboxamide
CID 135309749
2,5-dichloro-N-(6-ethyl-2-pyridinyl)benzenesulfonamide
CID 3868272
3-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-methylbenzamide
CID 134057882
4-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-phenylbenzamide
CID 39584361
methyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate
CID 113253329
4-[2-[3-[(2,5-dichlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688791

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-dichlorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 4-chloro-N-(2,5-dichlorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide (CID 135309926) is 4-chloro-N-(2,5-dichlorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,5-dichlorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 4-chloro-N-(2,5-dichlorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide is CCC1(C(=O)NS(=O)(=O)c2cc(Cl)ccc2Cl)CCc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-N-(2,5-dichlorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The InChIKey is KUPASWZHRDESAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl3NO3S/c1-2-18(9-8-12-13(18)4-3-5-14(12)20)17(23)22-26(24,25)16-10-11(19)6-7-15(16)21/h3-7,10H,2,8-9H2,1H3,(H,22,23).
What are the key properties of 4-chloro-N-(2,5-dichlorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
4-chloro-N-(2,5-dichlorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide has a molecular weight of 432.76 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-dichlorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 135309926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).