3-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methyl-5-sulfamoylbenzamide

C10H10BrClF2N2O3S — CID 99719134

IUPAC3-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methyl-5-sulfamoylbenzamide
SMILESCN(CC(F)F)C(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl
InChIInChI=1S/C10H10BrClF2N2O3S/c1-16(4-8(13)14)10(17)6-2-5(20(15,18)19)3-7(11)9(6)12/h2-3,8H,4H2,1H3,(H2,15,18,19)
InChIKeyORMMXTQAIQNVIA-UHFFFAOYSA-N
MW391.62 g/mol
LogP2.09
Rot. Bonds4

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

3-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methyl-5-sulfamoylbenzamide (PubChem CID 99719134) has the molecular formula C10H10BrClF2N2O3S and a molecular weight of 391.62 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methyl-5-sulfamoylbenzamide
PubChem CID99719134
Molecular FormulaC10H10BrClF2N2O3S
Molecular Weight391.62 g/mol
Exact Mass389.93
IUPAC Name3-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methyl-5-sulfamoylbenzamide
SMILESCN(CC(F)F)C(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl
InChIInChI=1S/C10H10BrClF2N2O3S/c1-16(4-8(13)14)10(17)6-2-5(20(15,18)19)3-7(11)9(6)12/h2-3,8H,4H2,1H3,(H2,15,18,19)
InChIKeyORMMXTQAIQNVIA-UHFFFAOYSA-N
XLogP2.09
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.62
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of 3-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methyl-5-sulfamoylbenzamide (CID 99719134) is 3-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methyl-5-sulfamoylbenzamide is CN(CC(F)F)C(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methyl-5-sulfamoylbenzamide?
The InChIKey is ORMMXTQAIQNVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClF2N2O3S/c1-16(4-8(13)14)10(17)6-2-5(20(15,18)19)3-7(11)9(6)12/h2-3,8H,4H2,1H3,(H2,15,18,19).
What are the key properties of 3-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methyl-5-sulfamoylbenzamide?
3-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methyl-5-sulfamoylbenzamide has a molecular weight of 391.62 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 99719134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).