N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide

C19H21ClN2O4S — CID 9165383

IUPACN-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C19H21ClN2O4S/c20-16-4-1-3-14(11-16)12-21-19(23)15-6-8-18(9-7-15)27(24,25)22-13-17-5-2-10-26-17/h1,3-4,6-9,11,17,22H,2,5,10,12-13H2,(H,21,23)/t17-/m0/s1
InChIKeyHVFDFOSBHQBSNR-KRWDZBQOSA-N
MW408.91 g/mol
LogP2.73
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide

N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide (PubChem CID 9165383) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
PubChem CID9165383
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC NameN-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C19H21ClN2O4S/c20-16-4-1-3-14(11-16)12-21-19(23)15-6-8-18(9-7-15)27(24,25)22-13-17-5-2-10-26-17/h1,3-4,6-9,11,17,22H,2,5,10,12-13H2,(H,21,23)/t17-/m0/s1
InChIKeyHVFDFOSBHQBSNR-KRWDZBQOSA-N
XLogP2.73
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 46468515
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9117546
N-(1,3-benzodioxol-5-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 2946621
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 74632236
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46478512
N-(4-hydroxybutyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 100703871
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
4-chloro-N-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46799138
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2948676
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109060029
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide (CID 9165383) is N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide is O=C(NCc1cccc(Cl)c1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The InChIKey is HVFDFOSBHQBSNR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c20-16-4-1-3-14(11-16)12-21-19(23)15-6-8-18(9-7-15)27(24,25)22-13-17-5-2-10-26-17/h1,3-4,6-9,11,17,22H,2,5,10,12-13H2,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide has a molecular weight of 408.91 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide is sourced from PubChem (CID 9165383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).