2,5-dichloro-N-methyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide

C12H14Cl2N2O4S — CID 82748225

IUPAC2,5-dichloro-N-methyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide
SMILESCN(C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1Cl)C1CCOC1
InChIInChI=1S/C12H14Cl2N2O4S/c1-16(8-2-3-20-6-8)12(17)9-4-7(13)5-10(11(9)14)21(15,18)19/h4-5,8H,2-3,6H2,1H3,(H2,15,18,19)
InChIKeyAQCWZNGVORRSEH-UHFFFAOYSA-N
MW353.23 g/mol
LogP1.50
Rot. Bonds3

About 2,5-dichloro-N-methyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide

2,5-dichloro-N-methyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide (PubChem CID 82748225) has the molecular formula C12H14Cl2N2O4S and a molecular weight of 353.23 g/mol. Its IUPAC name is 2,5-dichloro-N-methyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2,5-dichloro-N-methyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide
PubChem CID82748225
Molecular FormulaC12H14Cl2N2O4S
Molecular Weight353.23 g/mol
Exact Mass352.01
IUPAC Name2,5-dichloro-N-methyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide
SMILESCN(C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1Cl)C1CCOC1
InChIInChI=1S/C12H14Cl2N2O4S/c1-16(8-2-3-20-6-8)12(17)9-4-7(13)5-10(11(9)14)21(15,18)19/h4-5,8H,2-3,6H2,1H3,(H2,15,18,19)
InChIKeyAQCWZNGVORRSEH-UHFFFAOYSA-N
XLogP1.50
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide
CID 65373518
2-fluoro-N-methyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 82744457
oxolan-3-yl 2,5-dichloro-3-sulfamoylbenzoate
CID 65381503
3-bromo-N,2-dimethyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 82749448
2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide
CID 82749561
4-bromo-3-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82744577
2,5-dichloro-N-methyl-N-propyl-3-sulfamoylbenzamide
CID 65388331
2-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 78954018
4-fluoro-3-methyl-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82749000
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
2-hydroxy-5-iodo-N-methyl-N-(oxolan-3-yl)benzamide
CID 113258754
4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide
CID 82740644

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-methyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide?
The IUPAC name of 2,5-dichloro-N-methyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide (CID 82748225) is 2,5-dichloro-N-methyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 2,5-dichloro-N-methyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 2,5-dichloro-N-methyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide is CN(C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1Cl)C1CCOC1.
What is the InChIKey of 2,5-dichloro-N-methyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide?
The InChIKey is AQCWZNGVORRSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O4S/c1-16(8-2-3-20-6-8)12(17)9-4-7(13)5-10(11(9)14)21(15,18)19/h4-5,8H,2-3,6H2,1H3,(H2,15,18,19).
What are the key properties of 2,5-dichloro-N-methyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide?
2,5-dichloro-N-methyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide has a molecular weight of 353.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-methyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 82748225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).