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

C20H23ClN2O5S — CID 46799138

IUPAC4-chloro-N-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NCC3CCCO3)c2)c1
InChIInChI=1S/C20H23ClN2O5S/c1-27-16-5-2-4-14(10-16)12-22-20(24)15-7-8-18(21)19(11-15)29(25,26)23-13-17-6-3-9-28-17/h2,4-5,7-8,10-11,17,23H,3,6,9,12-13H2,1H3,(H,22,24)
InChIKeyDXAXEZLHHOAZML-UHFFFAOYSA-N
MW438.93 g/mol
LogP2.74
Rot. Bonds8

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

4-chloro-N-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 46799138) has the molecular formula C20H23ClN2O5S and a molecular weight of 438.93 g/mol. Its IUPAC name is 4-chloro-N-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID46799138
Molecular FormulaC20H23ClN2O5S
Molecular Weight438.93 g/mol
Exact Mass438.10
IUPAC Name4-chloro-N-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NCC3CCCO3)c2)c1
InChIInChI=1S/C20H23ClN2O5S/c1-27-16-5-2-4-14(10-16)12-22-20(24)15-7-8-18(21)19(11-15)29(25,26)23-13-17-6-3-9-28-17/h2,4-5,7-8,10-11,17,23H,3,6,9,12-13H2,1H3,(H,22,24)
InChIKeyDXAXEZLHHOAZML-UHFFFAOYSA-N
XLogP2.74
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 52.74
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-propan-2-yloxyphenyl)methyl]benzamide
CID 55588157
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 134045733
4-chloro-N-[3-(3-methylphenoxy)propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42923752
4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 52516203
N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646084
4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46514472
4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 46468515
propan-2-yl 2-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]acetate
CID 56547063
2-chloro-5-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 55350687
N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9165383

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 46799138) is 4-chloro-N-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is COc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NCC3CCCO3)c2)c1.
What is the InChIKey of 4-chloro-N-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is DXAXEZLHHOAZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5S/c1-27-16-5-2-4-14(10-16)12-22-20(24)15-7-8-18(21)19(11-15)29(25,26)23-13-17-6-3-9-28-17/h2,4-5,7-8,10-11,17,23H,3,6,9,12-13H2,1H3,(H,22,24).
What are the key properties of 4-chloro-N-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
4-chloro-N-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 438.93 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 46799138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).