4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylsulfamoyl)benzamide

C21H17ClN2O5S — CID 4320437

IUPAC4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylsulfamoyl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H17ClN2O5S/c22-17-8-6-14(12-20(17)30(26,27)24-15-4-2-1-3-5-15)21(25)23-16-7-9-18-19(13-16)29-11-10-28-18/h1-9,12-13,24H,10-11H2,(H,23,25)
InChIKeyUKOYSJVZBHZXEY-UHFFFAOYSA-N
MW444.90 g/mol
LogP4.16
Rot. Bonds5

About 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylsulfamoyl)benzamide

4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylsulfamoyl)benzamide (PubChem CID 4320437) has the molecular formula C21H17ClN2O5S and a molecular weight of 444.90 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylsulfamoyl)benzamide
PubChem CID4320437
Molecular FormulaC21H17ClN2O5S
Molecular Weight444.90 g/mol
Exact Mass444.05
IUPAC Name4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylsulfamoyl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H17ClN2O5S/c22-17-8-6-14(12-20(17)30(26,27)24-15-4-2-1-3-5-15)21(25)23-16-7-9-18-19(13-16)29-11-10-28-18/h1-9,12-13,24H,10-11H2,(H,23,25)
InChIKeyUKOYSJVZBHZXEY-UHFFFAOYSA-N
XLogP4.16
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.90
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24539573
N-(1,3-benzodioxol-5-yl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3920897
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 2304457
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(phenylsulfamoyl)benzamide
CID 26712382
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2704617
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
CID 5028391
4-chloro-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(phenylsulfamoyl)benzamide
CID 1264396
5-(anilinocarbamoyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 78838843
4-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 26070595
4-chloro-N-(2-fluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 126413264

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylsulfamoyl)benzamide (CID 4320437) is 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylsulfamoyl)benzamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylsulfamoyl)benzamide?
The InChIKey is UKOYSJVZBHZXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O5S/c22-17-8-6-14(12-20(17)30(26,27)24-15-4-2-1-3-5-15)21(25)23-16-7-9-18-19(13-16)29-11-10-28-18/h1-9,12-13,24H,10-11H2,(H,23,25).
What are the key properties of 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylsulfamoyl)benzamide?
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylsulfamoyl)benzamide has a molecular weight of 444.90 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 4320437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).