2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide

C18H18Cl2N2O4S — CID 3158279

IUPAC2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H18Cl2N2O4S/c19-15-4-1-5-16(20)17(15)18(23)22-12-6-8-14(9-7-12)27(24,25)21-11-13-3-2-10-26-13/h1,4-9,13,21H,2-3,10-11H2,(H,22,23)
InChIKeyBOOVWMVWRSNDEJ-UHFFFAOYSA-N
MW429.33 g/mol
LogP3.70
Rot. Bonds6

About 2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide

2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide (PubChem CID 3158279) has the molecular formula C18H18Cl2N2O4S and a molecular weight of 429.33 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
PubChem CID3158279
Molecular FormulaC18H18Cl2N2O4S
Molecular Weight429.33 g/mol
Exact Mass428.04
IUPAC Name2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H18Cl2N2O4S/c19-15-4-1-5-16(20)17(15)18(23)22-12-6-8-14(9-7-12)27(24,25)21-11-13-3-2-10-26-13/h1,4-9,13,21H,2-3,10-11H2,(H,22,23)
InChIKeyBOOVWMVWRSNDEJ-UHFFFAOYSA-N
XLogP3.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094225
N-(2,3-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 25490032
N-(2-chlorophenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428408
2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105878
(E)-3-(2-chlorophenyl)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]prop-2-enamide
CID 41178244
2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094176
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 17147844
3-chloro-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17161309
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17147003
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
3-(2-methylpropanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094236

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide (CID 3158279) is 2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The InChIKey is BOOVWMVWRSNDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4S/c19-15-4-1-5-16(20)17(15)18(23)22-12-6-8-14(9-7-12)27(24,25)21-11-13-3-2-10-26-13/h1,4-9,13,21H,2-3,10-11H2,(H,22,23).
What are the key properties of 2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide has a molecular weight of 429.33 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 3158279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).