N-[6-(2-chloro-4-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide

C16H13ClFNO3S2 — CID 10221717

IUPACN-[6-(2-chloro-4-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c(cc1Sc1ccc(F)cc1Cl)C(=O)CC2
InChIInChI=1S/C16H13ClFNO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(18)7-12(15)17/h3,5-8,19H,2,4H2,1H3
InChIKeyWSCVAAGUWZHVDF-UHFFFAOYSA-N
MW385.87 g/mol
LogP4.13
Rot. Bonds4

About N-[6-(2-chloro-4-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide

N-[6-(2-chloro-4-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide (PubChem CID 10221717) has the molecular formula C16H13ClFNO3S2 and a molecular weight of 385.87 g/mol. Its IUPAC name is N-[6-(2-chloro-4-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(2-chloro-4-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
PubChem CID10221717
Molecular FormulaC16H13ClFNO3S2
Molecular Weight385.87 g/mol
Exact Mass385.00
IUPAC NameN-[6-(2-chloro-4-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c(cc1Sc1ccc(F)cc1Cl)C(=O)CC2
InChIInChI=1S/C16H13ClFNO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(18)7-12(15)17/h3,5-8,19H,2,4H2,1H3
InChIKeyWSCVAAGUWZHVDF-UHFFFAOYSA-N
XLogP4.13
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-difluorophenyl)sulfanyl-5-methyl-2,3-dihydroinden-1-one
CID 20664043
5-(2,4-dichlorophenyl)sulfanyl-2-hydroxy-4-(methanesulfonamido)benzenesulfonamide
CID 20691743
6-(2,4-difluorophenoxy)-5-(methylsulfanylamino)-2,3-dihydroinden-1-one
CID 142003228
N-[6-(2,4-difluoroanilino)-1-oxo-2,3-dihydroinden-5-yl]-N-methylsulfonylmethanesulfonamide
CID 10598721
5-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one
CID 107684090
N-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide
CID 10066899
[2-(2-chloro-4-methylsulfonylphenyl)sulfanyl-4-fluorophenyl] acetate
CID 91074267
N-[5-(2-bromoacetyl)-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide
CID 10026012
3-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-(methanesulfonamido)benzamide
CID 10430237
(2-chloro-4-fluorophenyl) thiohypochlorite
CID 86633008
N-[4-acetyl-2-(2-chlorophenyl)sulfanylphenyl]methanesulfonamide
CID 10089576
N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]methanesulfonamide
CID 95632056

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chloro-4-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The IUPAC name of N-[6-(2-chloro-4-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide (CID 10221717) is N-[6-(2-chloro-4-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(2-chloro-4-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The canonical SMILES for N-[6-(2-chloro-4-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide is CS(=O)(=O)Nc1cc2c(cc1Sc1ccc(F)cc1Cl)C(=O)CC2.
What is the InChIKey of N-[6-(2-chloro-4-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The InChIKey is WSCVAAGUWZHVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(18)7-12(15)17/h3,5-8,19H,2,4H2,1H3.
What are the key properties of N-[6-(2-chloro-4-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
N-[6-(2-chloro-4-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide has a molecular weight of 385.87 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chloro-4-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide is sourced from PubChem (CID 10221717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).