N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C18H19ClN2O4S — CID 109063911

IUPACN-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C18H19ClN2O4S/c19-14-5-2-6-15(11-14)21-18(22)13-4-1-8-17(10-13)26(23,24)20-12-16-7-3-9-25-16/h1-2,4-6,8,10-11,16,20H,3,7,9,12H2,(H,21,22)
InChIKeyFGYYNGDETUATBS-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.05
Rot. Bonds6

About N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 109063911) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID109063911
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC NameN-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C18H19ClN2O4S/c19-14-5-2-6-15(11-14)21-18(22)13-4-1-8-17(10-13)26(23,24)20-12-16-7-3-9-25-16/h1-2,4-6,8,10-11,16,20H,3,7,9,12H2,(H,21,22)
InChIKeyFGYYNGDETUATBS-UHFFFAOYSA-N
XLogP3.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43001593
3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 43002756
N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43057770
N-(4-bromo-3-methylphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646358
3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 25399450
N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063915
N-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46539920
3-(2-methylpropanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094236
3-chloro-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17161309
N-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24644972
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 109063911) is N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide is O=C(Nc1cccc(Cl)c1)c1cccc(S(=O)(=O)NCC2CCCO2)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is FGYYNGDETUATBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c19-14-5-2-6-15(11-14)21-18(22)13-4-1-8-17(10-13)26(23,24)20-12-16-7-3-9-25-16/h1-2,4-6,8,10-11,16,20H,3,7,9,12H2,(H,21,22).
What are the key properties of N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 394.88 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 109063911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).