N-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide

C23H20Cl2N2O5S — CID 68566142

IUPACN-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1Cc1ccccc1Cl
InChIInChI=1S/C23H20Cl2N2O5S/c24-17-5-7-20(16(12-17)11-15-3-1-2-4-19(15)25)27-23(28)14-26-33(29,30)18-6-8-21-22(13-18)32-10-9-31-21/h1-8,12-13,26H,9-11,14H2,(H,27,28)
InChIKeyBTVFEMPMYLTPKY-UHFFFAOYSA-N
MW507.40 g/mol
LogP4.27
Rot. Bonds7

About N-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide

N-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide (PubChem CID 68566142) has the molecular formula C23H20Cl2N2O5S and a molecular weight of 507.40 g/mol. Its IUPAC name is N-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide
PubChem CID68566142
Molecular FormulaC23H20Cl2N2O5S
Molecular Weight507.40 g/mol
Exact Mass506.05
IUPAC NameN-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1Cc1ccccc1Cl
InChIInChI=1S/C23H20Cl2N2O5S/c24-17-5-7-20(16(12-17)11-15-3-1-2-4-19(15)25)27-23(28)14-26-33(29,30)18-6-8-21-22(13-18)32-10-9-31-21/h1-8,12-13,26H,9-11,14H2,(H,27,28)
InChIKeyBTVFEMPMYLTPKY-UHFFFAOYSA-N
XLogP4.27
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.40
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]-2-[(2,4,5-trimethoxyphenyl)sulfonylamino]acetamide
CID 68569306
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 26943463
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2-methoxyphenyl)acetamide
CID 112998596
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide
CID 9302237
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide
CID 110370505
N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)sulfonylamino]acetamide
CID 1210774
N-[4-chloro-2-[(2,3-difluorophenyl)methyl]phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 68567982
N-[2-(2-hydroxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110605313
2-[(2-chlorophenyl)methoxy]-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]acetamide
CID 55792296
N-[4-chloro-2-(pyridin-2-ylmethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 68567139
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[(2-methylphenyl)methyl]acetamide
CID 112992128
N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-2-[[3-(methylamino)phenyl]sulfonylamino]acetamide
CID 68567323

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide?
The IUPAC name of N-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide (CID 68566142) is N-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide.
What is the SMILES notation for N-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide?
The canonical SMILES for N-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide is O=C(CNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1Cc1ccccc1Cl.
What is the InChIKey of N-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide?
The InChIKey is BTVFEMPMYLTPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O5S/c24-17-5-7-20(16(12-17)11-15-3-1-2-4-19(15)25)27-23(28)14-26-33(29,30)18-6-8-21-22(13-18)32-10-9-31-21/h1-8,12-13,26H,9-11,14H2,(H,27,28).
What are the key properties of N-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide?
N-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide has a molecular weight of 507.40 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(2-chlorophenyl)methyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)acetamide is sourced from PubChem (CID 68566142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).