2,4-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)sulfamoyl]benzamide

C22H17Cl2FN2O3S — CID 2422766

IUPAC2,4-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl
InChIInChI=1S/C22H17Cl2FN2O3S/c23-19-12-20(24)21(31(29,30)27-16-8-5-15(25)6-9-16)11-18(19)22(28)26-17-7-4-13-2-1-3-14(13)10-17/h4-12,27H,1-3H2,(H,26,28)
InChIKeyVYDSCGWHMUQLHO-UHFFFAOYSA-N
MW479.36 g/mol
LogP5.67
Rot. Bonds5

About 2,4-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)sulfamoyl]benzamide

2,4-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)sulfamoyl]benzamide (PubChem CID 2422766) has the molecular formula C22H17Cl2FN2O3S and a molecular weight of 479.36 g/mol. Its IUPAC name is 2,4-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
PubChem CID2422766
Molecular FormulaC22H17Cl2FN2O3S
Molecular Weight479.36 g/mol
Exact Mass478.03
IUPAC Name2,4-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl
InChIInChI=1S/C22H17Cl2FN2O3S/c23-19-12-20(24)21(31(29,30)27-16-8-5-15(25)6-9-16)11-18(19)22(28)26-17-7-4-13-2-1-3-14(13)10-17/h4-12,27H,1-3H2,(H,26,28)
InChIKeyVYDSCGWHMUQLHO-UHFFFAOYSA-N
XLogP5.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.36
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2089595
2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide
CID 6470489
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 19257463
2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 2124982
acetic acid;2,4-dichloro-5-[(4-chlorophenyl)sulfamoyl]-N-phenylbenzamide
CID 90484937
2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27162794
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide
CID 103220953
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 30910349
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-fluoro-4-methylphenyl)benzamide
CID 30866994
4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
CID 5028391
2-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882611

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of 2,4-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)sulfamoyl]benzamide (CID 2422766) is 2,4-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)sulfamoyl]benzamide is O=C(Nc1ccc2c(c1)CCC2)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is VYDSCGWHMUQLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2FN2O3S/c23-19-12-20(24)21(31(29,30)27-16-8-5-15(25)6-9-16)11-18(19)22(28)26-17-7-4-13-2-1-3-14(13)10-17/h4-12,27H,1-3H2,(H,26,28).
What are the key properties of 2,4-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)sulfamoyl]benzamide?
2,4-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 479.36 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2422766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).