5-chloro-N-(2,2-difluoroethyl)-2-methoxy-3-sulfamoylbenzamide

C10H11ClF2N2O4S — CID 115408938

IUPAC5-chloro-N-(2,2-difluoroethyl)-2-methoxy-3-sulfamoylbenzamide
SMILESCOc1c(C(=O)NCC(F)F)cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C10H11ClF2N2O4S/c1-19-9-6(10(16)15-4-8(12)13)2-5(11)3-7(9)20(14,17)18/h2-3,8H,4H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyDCIIHQOKLHJGLD-UHFFFAOYSA-N
MW328.72 g/mol
LogP0.99
Rot. Bonds5

About 5-chloro-N-(2,2-difluoroethyl)-2-methoxy-3-sulfamoylbenzamide

5-chloro-N-(2,2-difluoroethyl)-2-methoxy-3-sulfamoylbenzamide (PubChem CID 115408938) has the molecular formula C10H11ClF2N2O4S and a molecular weight of 328.72 g/mol. Its IUPAC name is 5-chloro-N-(2,2-difluoroethyl)-2-methoxy-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(2,2-difluoroethyl)-2-methoxy-3-sulfamoylbenzamide
PubChem CID115408938
Molecular FormulaC10H11ClF2N2O4S
Molecular Weight328.72 g/mol
Exact Mass328.01
IUPAC Name5-chloro-N-(2,2-difluoroethyl)-2-methoxy-3-sulfamoylbenzamide
SMILESCOc1c(C(=O)NCC(F)F)cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C10H11ClF2N2O4S/c1-19-9-6(10(16)15-4-8(12)13)2-5(11)3-7(9)20(14,17)18/h2-3,8H,4H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyDCIIHQOKLHJGLD-UHFFFAOYSA-N
XLogP0.99
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.72
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3-fluoropropyl)-2-methoxy-3-sulfamoylbenzamide
CID 114267192
5-chloro-2-methoxy-N-(3-methoxypropyl)-3-sulfamoylbenzamide
CID 65375386
2,4-dichloro-N-(2,2-difluoroethyl)-5-sulfamoylbenzamide
CID 79140385
5-chloro-N-cyclopentyl-2-methoxy-3-sulfamoylbenzamide
CID 65374998
pentan-2-yl 5-chloro-2-methoxy-3-sulfamoylbenzoate
CID 102988512
5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide
CID 82879168
5-chloro-2-methoxy-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65367857
5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-methyl-3-sulfamoylbenzamide
CID 65387428
5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368556
5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide
CID 104766748
5-(2,2-difluoroethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride
CID 115408885
2,6-dichloro-N-(2,2-difluoroethyl)-3-sulfamoylbenzamide
CID 115408900

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-difluoroethyl)-2-methoxy-3-sulfamoylbenzamide?
The IUPAC name of 5-chloro-N-(2,2-difluoroethyl)-2-methoxy-3-sulfamoylbenzamide (CID 115408938) is 5-chloro-N-(2,2-difluoroethyl)-2-methoxy-3-sulfamoylbenzamide.
What is the SMILES notation for 5-chloro-N-(2,2-difluoroethyl)-2-methoxy-3-sulfamoylbenzamide?
The canonical SMILES for 5-chloro-N-(2,2-difluoroethyl)-2-methoxy-3-sulfamoylbenzamide is COc1c(C(=O)NCC(F)F)cc(Cl)cc1S(N)(=O)=O.
What is the InChIKey of 5-chloro-N-(2,2-difluoroethyl)-2-methoxy-3-sulfamoylbenzamide?
The InChIKey is DCIIHQOKLHJGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2O4S/c1-19-9-6(10(16)15-4-8(12)13)2-5(11)3-7(9)20(14,17)18/h2-3,8H,4H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 5-chloro-N-(2,2-difluoroethyl)-2-methoxy-3-sulfamoylbenzamide?
5-chloro-N-(2,2-difluoroethyl)-2-methoxy-3-sulfamoylbenzamide has a molecular weight of 328.72 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-difluoroethyl)-2-methoxy-3-sulfamoylbenzamide is sourced from PubChem (CID 115408938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).