4-chloro-N-[2-(difluoromethoxy)phenyl]sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide

C19H18ClF2NO4S — CID 135310140

IUPAC4-chloro-N-[2-(difluoromethoxy)phenyl]sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2ccccc2OC(F)F)CCc2c(Cl)cccc21
InChIInChI=1S/C19H18ClF2NO4S/c1-2-19(11-10-12-13(19)6-5-7-14(12)20)17(24)23-28(25,26)16-9-4-3-8-15(16)27-18(21)22/h3-9,18H,2,10-11H2,1H3,(H,23,24)
InChIKeyCELIFEGCGXZROC-UHFFFAOYSA-N
MW429.87 g/mol
LogP4.04
Rot. Bonds6

About 4-chloro-N-[2-(difluoromethoxy)phenyl]sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide

4-chloro-N-[2-(difluoromethoxy)phenyl]sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide (PubChem CID 135310140) has the molecular formula C19H18ClF2NO4S and a molecular weight of 429.87 g/mol. Its IUPAC name is 4-chloro-N-[2-(difluoromethoxy)phenyl]sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(difluoromethoxy)phenyl]sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
PubChem CID135310140
Molecular FormulaC19H18ClF2NO4S
Molecular Weight429.87 g/mol
Exact Mass429.06
IUPAC Name4-chloro-N-[2-(difluoromethoxy)phenyl]sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
SMILESCCC1(C(=O)NS(=O)(=O)c2ccccc2OC(F)F)CCc2c(Cl)cccc21
InChIInChI=1S/C19H18ClF2NO4S/c1-2-19(11-10-12-13(19)6-5-7-14(12)20)17(24)23-28(25,26)16-9-4-3-8-15(16)27-18(21)22/h3-9,18H,2,10-11H2,1H3,(H,23,24)
InChIKeyCELIFEGCGXZROC-UHFFFAOYSA-N
XLogP4.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.87
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-ethyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide
CID 135309744
4-chloro-N-(2-cyanophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
CID 135309752
2-chloro-6-[(4-chloro-1-ethyl-2,3-dihydroindene-1-carbonyl)sulfamoyl]benzoic acid
CID 135310161
4-chloro-N-(2,5-dichlorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
CID 135309926
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
N-[2-(difluoromethoxy)phenyl]sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide
CID 23050799
(1S)-7-chloro-1-methyl-N-naphthalen-1-ylsulfonyl-2,3-dihydroindene-1-carboxamide
CID 135309804
ethyl 2-[(1S)-1-amino-4-chloro-2,3-dihydroinden-1-yl]acetate
CID 170356428
methyl 2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfamoyl]benzoate
CID 2445690
ethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate
CID 47309506
1-(2-chlorophenyl)-3,3-diethylcyclobutane-1-carboxylic acid
CID 65003856

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(difluoromethoxy)phenyl]sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 4-chloro-N-[2-(difluoromethoxy)phenyl]sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide (CID 135310140) is 4-chloro-N-[2-(difluoromethoxy)phenyl]sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(difluoromethoxy)phenyl]sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(difluoromethoxy)phenyl]sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide is CCC1(C(=O)NS(=O)(=O)c2ccccc2OC(F)F)CCc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-N-[2-(difluoromethoxy)phenyl]sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
The InChIKey is CELIFEGCGXZROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2NO4S/c1-2-19(11-10-12-13(19)6-5-7-14(12)20)17(24)23-28(25,26)16-9-4-3-8-15(16)27-18(21)22/h3-9,18H,2,10-11H2,1H3,(H,23,24).
What are the key properties of 4-chloro-N-[2-(difluoromethoxy)phenyl]sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide?
4-chloro-N-[2-(difluoromethoxy)phenyl]sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide has a molecular weight of 429.87 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(difluoromethoxy)phenyl]sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 135310140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).