N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

C20H23ClN2O5S — CID 26057843

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)ccc1Cl
InChIInChI=1S/C20H23ClN2O5S/c1-23(2)29(25,26)19-12-15(7-10-18(19)21)22-20(24)14-5-8-16(9-6-14)28-13-17-4-3-11-27-17/h5-10,12,17H,3-4,11,13H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyFJWFQGUCYVRRFY-KRWDZBQOSA-N
MW438.93 g/mol
LogP3.40
Rot. Bonds7

About N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (PubChem CID 26057843) has the molecular formula C20H23ClN2O5S and a molecular weight of 438.93 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
PubChem CID26057843
Molecular FormulaC20H23ClN2O5S
Molecular Weight438.93 g/mol
Exact Mass438.10
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)ccc1Cl
InChIInChI=1S/C20H23ClN2O5S/c1-23(2)29(25,26)19-12-15(7-10-18(19)21)22-20(24)14-5-8-16(9-6-14)28-13-17-4-3-11-27-17/h5-10,12,17H,3-4,11,13H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyFJWFQGUCYVRRFY-KRWDZBQOSA-N
XLogP3.40
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 41152372
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 36818148
N-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 51193239
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide
CID 17232441
N-[5-(butanoylamino)-2-chlorophenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222418
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 46798182
4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 17222277

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (CID 26057843) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is CN(C)S(=O)(=O)c1cc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is FJWFQGUCYVRRFY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23ClN2O5S/c1-23(2)29(25,26)19-12-15(7-10-18(19)21)22-20(24)14-5-8-16(9-6-14)28-13-17-4-3-11-27-17/h5-10,12,17H,3-4,11,13H2,1-2H3,(H,22,24)/t17-/m0/s1.
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 438.93 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 26057843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).