N-(4-chlorophenyl)-2-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)sulfonyl]acetamide

C17H14ClF2NO3S — CID 91646097

IUPACN-(4-chlorophenyl)-2-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)sulfonyl]acetamide
SMILESO=C(CS(=O)(=O)C1CCc2c(F)cc(F)cc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClF2NO3S/c18-10-1-3-12(4-2-10)21-17(22)9-25(23,24)16-6-5-13-14(16)7-11(19)8-15(13)20/h1-4,7-8,16H,5-6,9H2,(H,21,22)
InChIKeyRAQYIEMOEAMPNW-UHFFFAOYSA-N
MW385.82 g/mol
LogP3.66
Rot. Bonds4

About N-(4-chlorophenyl)-2-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)sulfonyl]acetamide

N-(4-chlorophenyl)-2-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)sulfonyl]acetamide (PubChem CID 91646097) has the molecular formula C17H14ClF2NO3S and a molecular weight of 385.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)sulfonyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)sulfonyl]acetamide
PubChem CID91646097
Molecular FormulaC17H14ClF2NO3S
Molecular Weight385.82 g/mol
Exact Mass385.04
IUPAC NameN-(4-chlorophenyl)-2-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)sulfonyl]acetamide
SMILESO=C(CS(=O)(=O)C1CCc2c(F)cc(F)cc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClF2NO3S/c18-10-1-3-12(4-2-10)21-17(22)9-25(23,24)16-6-5-13-14(16)7-11(19)8-15(13)20/h1-4,7-8,16H,5-6,9H2,(H,21,22)
InChIKeyRAQYIEMOEAMPNW-UHFFFAOYSA-N
XLogP3.66
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.82
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)sulfonyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)sulfonyl]acetamide (CID 91646097) is N-(4-chlorophenyl)-2-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)sulfonyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)sulfonyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)sulfonyl]acetamide is O=C(CS(=O)(=O)C1CCc2c(F)cc(F)cc21)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)sulfonyl]acetamide?
The InChIKey is RAQYIEMOEAMPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2NO3S/c18-10-1-3-12(4-2-10)21-17(22)9-25(23,24)16-6-5-13-14(16)7-11(19)8-15(13)20/h1-4,7-8,16H,5-6,9H2,(H,21,22).
What are the key properties of N-(4-chlorophenyl)-2-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)sulfonyl]acetamide?
N-(4-chlorophenyl)-2-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)sulfonyl]acetamide has a molecular weight of 385.82 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)sulfonyl]acetamide is sourced from PubChem (CID 91646097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).