2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide

C12H14ClFN2O4S — CID 65387506

IUPAC2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCC2CCOC2)c(Cl)cc1F
InChIInChI=1S/C12H14ClFN2O4S/c13-9-4-10(14)11(21(15,18)19)3-8(9)12(17)16-5-7-1-2-20-6-7/h3-4,7H,1-2,5-6H2,(H,16,17)(H2,15,18,19)
InChIKeyBUMOCTFCYBYRLA-UHFFFAOYSA-N
MW336.77 g/mol
LogP0.89
Rot. Bonds4

About 2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide

2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide (PubChem CID 65387506) has the molecular formula C12H14ClFN2O4S and a molecular weight of 336.77 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide
PubChem CID65387506
Molecular FormulaC12H14ClFN2O4S
Molecular Weight336.77 g/mol
Exact Mass336.03
IUPAC Name2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCC2CCOC2)c(Cl)cc1F
InChIInChI=1S/C12H14ClFN2O4S/c13-9-4-10(14)11(21(15,18)19)3-8(9)12(17)16-5-7-1-2-20-6-7/h3-4,7H,1-2,5-6H2,(H,16,17)(H2,15,18,19)
InChIKeyBUMOCTFCYBYRLA-UHFFFAOYSA-N
XLogP0.89
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.77
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-fluoro-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65397219
2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
CID 63932911
4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
CID 65388082
5-chloro-2-fluoro-3-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396644
4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 61112400
2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide
CID 65373693
4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide
CID 61217199
5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 47179450
2,4-dimethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65398563
2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65375166
4-[[2-(3-chloro-4-pyridinyl)acetyl]amino]-N-(oxolan-3-ylmethyl)-2-sulfamoylbenzamide
CID 134603941
2-chloro-4-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65373631

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide (CID 65387506) is 2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NCC2CCOC2)c(Cl)cc1F.
What is the InChIKey of 2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide?
The InChIKey is BUMOCTFCYBYRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O4S/c13-9-4-10(14)11(21(15,18)19)3-8(9)12(17)16-5-7-1-2-20-6-7/h3-4,7H,1-2,5-6H2,(H,16,17)(H2,15,18,19).
What are the key properties of 2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide?
2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide has a molecular weight of 336.77 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65387506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).