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

C20H23ClN2O5S — CID 46514436

IUPAC4-chloro-N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C20H23ClN2O5S/c1-27-16-7-4-14(5-8-16)12-22-20(24)15-6-9-18(21)19(11-15)29(25,26)23-13-17-3-2-10-28-17/h4-9,11,17,23H,2-3,10,12-13H2,1H3,(H,22,24)
InChIKeyODIPJVWQOBPTID-UHFFFAOYSA-N
MW438.93 g/mol
LogP2.74
Rot. Bonds8

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

4-chloro-N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 46514436) has the molecular formula C20H23ClN2O5S and a molecular weight of 438.93 g/mol. Its IUPAC name is 4-chloro-N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID46514436
Molecular FormulaC20H23ClN2O5S
Molecular Weight438.93 g/mol
Exact Mass438.10
IUPAC Name4-chloro-N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C20H23ClN2O5S/c1-27-16-7-4-14(5-8-16)12-22-20(24)15-6-9-18(21)19(11-15)29(25,26)23-13-17-3-2-10-28-17/h4-9,11,17,23H,2-3,10,12-13H2,1H3,(H,22,24)
InChIKeyODIPJVWQOBPTID-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-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46799138
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55588157
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-3-(oxolan-2-ylmethylsulfamoyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55734171
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46514472
propan-2-yl 2-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]acetate
CID 56547063
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-(5-chloro-2-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 4780486
4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 2095487

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 46514436) is 4-chloro-N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is COc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)NCC3CCCO3)c2)cc1.
What is the InChIKey of 4-chloro-N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is ODIPJVWQOBPTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5S/c1-27-16-7-4-14(5-8-16)12-22-20(24)15-6-9-18(21)19(11-15)29(25,26)23-13-17-3-2-10-28-17/h4-9,11,17,23H,2-3,10,12-13H2,1H3,(H,22,24).
What are the key properties of 4-chloro-N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
4-chloro-N-[(4-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-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 46514436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).