2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide

C18H19ClF2N2O4S — CID 55332147

IUPAC2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2OC(F)F)c1
InChIInChI=1S/C18H19ClF2N2O4S/c1-11(2)23(3)28(25,26)12-8-9-14(19)13(10-12)17(24)22-15-6-4-5-7-16(15)27-18(20)21/h4-11,18H,1-3H3,(H,22,24)
InChIKeyXFVPXXLKALAAHR-UHFFFAOYSA-N
MW432.88 g/mol
LogP4.22
Rot. Bonds7

About 2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide

2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 55332147) has the molecular formula C18H19ClF2N2O4S and a molecular weight of 432.88 g/mol. Its IUPAC name is 2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID55332147
Molecular FormulaC18H19ClF2N2O4S
Molecular Weight432.88 g/mol
Exact Mass432.07
IUPAC Name2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2OC(F)F)c1
InChIInChI=1S/C18H19ClF2N2O4S/c1-11(2)23(3)28(25,26)12-8-9-14(19)13(10-12)17(24)22-15-6-4-5-7-16(15)27-18(20)21/h4-11,18H,1-3H3,(H,22,24)
InChIKeyXFVPXXLKALAAHR-UHFFFAOYSA-N
XLogP4.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.88
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55887552
2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55345679
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
2-chloro-N-[2-(2-methoxyphenoxy)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46558858
2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide
CID 3413626
2-chloro-N-(2-fluorophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 26115061
2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 51286285
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55340947
N-(2-acetylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 4800969
5-amino-N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)benzamide
CID 91683152
N-(2-chlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363696
2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide
CID 115540029

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 55332147) is 2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2OC(F)F)c1.
What is the InChIKey of 2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is XFVPXXLKALAAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF2N2O4S/c1-11(2)23(3)28(25,26)12-8-9-14(19)13(10-12)17(24)22-15-6-4-5-7-16(15)27-18(20)21/h4-11,18H,1-3H3,(H,22,24).
What are the key properties of 2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 432.88 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 55332147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).