4-chloro-N-(2-fluorophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide

C16H13ClFNO3S — CID 135309793

IUPAC4-chloro-N-(2-fluorophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1F)C1CCc2c(Cl)cccc21
InChIInChI=1S/C16H13ClFNO3S/c17-13-5-3-4-10-11(13)8-9-12(10)16(20)19-23(21,22)15-7-2-1-6-14(15)18/h1-7,12H,8-9H2,(H,19,20)
InChIKeyUMPLGHPSMMHDGJ-UHFFFAOYSA-N
MW353.80 g/mol
LogP3.01
Rot. Bonds3

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

4-chloro-N-(2-fluorophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 135309793) has the molecular formula C16H13ClFNO3S and a molecular weight of 353.80 g/mol. Its IUPAC name is 4-chloro-N-(2-fluorophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-fluorophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID135309793
Molecular FormulaC16H13ClFNO3S
Molecular Weight353.80 g/mol
Exact Mass353.03
IUPAC Name4-chloro-N-(2-fluorophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1F)C1CCc2c(Cl)cccc21
InChIInChI=1S/C16H13ClFNO3S/c17-13-5-3-4-10-11(13)8-9-12(10)16(20)19-23(21,22)15-7-2-1-6-14(15)18/h1-7,12H,8-9H2,(H,19,20)
InChIKeyUMPLGHPSMMHDGJ-UHFFFAOYSA-N
XLogP3.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.80
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)acetamide
CID 56673721
2-(4-chlorophenyl)-N-(4-fluorophenyl)sulfonylacetamide
CID 56680358
trans-(1S,3S)-N-(6-chloro-2,3-difluorophenyl)sulfonyl-3-phenylcyclopentane-1-carboxamide
CID 164639691
4-chloro-N-(2,3-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
CID 135309674
4-chloro-1-ethyl-N-(4-fluoronaphthalen-1-yl)sulfonyl-2,3-dihydroindene-1-carboxamide
CID 135309746
4-chloro-1-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide
CID 135309755
4-chloro-1-ethyl-N-[2-methyl-6-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide
CID 135309795
4-chloro-N-(2,6-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
CID 135310004
4-chloro-1-ethyl-N-(2-fluorophenyl)sulfonyl-2,3-dihydroindene-1-carboxamide
CID 135310173
4-chloro-N-(3-chloro-2-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
CID 135310244
4-chloro-N-(2-cyano-3-fluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
CID 135310327
4-chloro-1-ethyl-N-(3-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide
CID 135310329

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-fluorophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of 4-chloro-N-(2-fluorophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide (CID 135309793) is 4-chloro-N-(2-fluorophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-fluorophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for 4-chloro-N-(2-fluorophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide is O=C(NS(=O)(=O)c1ccccc1F)C1CCc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-N-(2-fluorophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is UMPLGHPSMMHDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO3S/c17-13-5-3-4-10-11(13)8-9-12(10)16(20)19-23(21,22)15-7-2-1-6-14(15)18/h1-7,12H,8-9H2,(H,19,20).
What are the key properties of 4-chloro-N-(2-fluorophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
4-chloro-N-(2-fluorophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 353.80 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-fluorophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 135309793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).