4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

C22H27ClN2O5S — CID 55588157

IUPAC4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCC(C)Oc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C22H27ClN2O5S/c1-15(2)30-18-8-5-16(6-9-18)13-24-22(26)17-7-10-20(23)21(12-17)31(27,28)25-14-19-4-3-11-29-19/h5-10,12,15,19,25H,3-4,11,13-14H2,1-2H3,(H,24,26)
InChIKeyYKWNCVZTBYRNRU-UHFFFAOYSA-N
MW466.99 g/mol
LogP3.51
Rot. Bonds9

About 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 55588157) has the molecular formula C22H27ClN2O5S and a molecular weight of 466.99 g/mol. Its IUPAC name is 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID55588157
Molecular FormulaC22H27ClN2O5S
Molecular Weight466.99 g/mol
Exact Mass466.13
IUPAC Name4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCC(C)Oc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C22H27ClN2O5S/c1-15(2)30-18-8-5-16(6-9-18)13-24-22(26)17-7-10-20(23)21(12-17)31(27,28)25-14-19-4-3-11-29-19/h5-10,12,15,19,25H,3-4,11,13-14H2,1-2H3,(H,24,26)
InChIKeyYKWNCVZTBYRNRU-UHFFFAOYSA-N
XLogP3.51
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.99
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46514436
4-chloro-N-[(4-methylphenyl)methyl]-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9473645
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 134045733
4-chloro-N-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46799138
propan-2-yl 2-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]acetate
CID 56547063
4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46514472
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55734171
4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 52516203
2-chloro-5-[(3-methylbutanoylamino)carbamoyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 46514467
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 55346360
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 55366048
N-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide
CID 125144932

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (CID 55588157) is 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is CC(C)Oc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NCC3CCCO3)c2)cc1.
What is the InChIKey of 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is YKWNCVZTBYRNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O5S/c1-15(2)30-18-8-5-16(6-9-18)13-24-22(26)17-7-10-20(23)21(12-17)31(27,28)25-14-19-4-3-11-29-19/h5-10,12,15,19,25H,3-4,11,13-14H2,1-2H3,(H,24,26).
What are the key properties of 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 466.99 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 55588157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).