2,4-dichloro-5-fluoro-N-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide

C12H15Cl2FN2O3S — CID 65388717

IUPAC2,4-dichloro-5-fluoro-N-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
SMILESCC(C)CN(C)C(=O)c1cc(F)c(Cl)c(S(N)(=O)=O)c1Cl
InChIInChI=1S/C12H15Cl2FN2O3S/c1-6(2)5-17(3)12(18)7-4-8(15)10(14)11(9(7)13)21(16,19)20/h4,6H,5H2,1-3H3,(H2,16,19,20)
InChIKeyZMCWRXSAMVOAOY-UHFFFAOYSA-N
MW357.23 g/mol
LogP2.51
Rot. Bonds4

About 2,4-dichloro-5-fluoro-N-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide

2,4-dichloro-5-fluoro-N-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide (PubChem CID 65388717) has the molecular formula C12H15Cl2FN2O3S and a molecular weight of 357.23 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
PubChem CID65388717
Molecular FormulaC12H15Cl2FN2O3S
Molecular Weight357.23 g/mol
Exact Mass356.02
IUPAC Name2,4-dichloro-5-fluoro-N-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
SMILESCC(C)CN(C)C(=O)c1cc(F)c(Cl)c(S(N)(=O)=O)c1Cl
InChIInChI=1S/C12H15Cl2FN2O3S/c1-6(2)5-17(3)12(18)7-4-8(15)10(14)11(9(7)13)21(16,19)20/h4,6H,5H2,1-3H3,(H2,16,19,20)
InChIKeyZMCWRXSAMVOAOY-UHFFFAOYSA-N
XLogP2.51
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-2,4-dichloro-5-fluoro-N-methyl-3-sulfamoylbenzamide
CID 65386227
4-chloro-3-fluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 81454555
2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65371674
3,4-dichloro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65372826
tert-butyl 2,4-dichloro-5-fluoro-3-sulfamoylbenzoate
CID 65380219
N,2,4,6-tetramethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
CID 65388716
2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 47163482
3-methylbutyl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate
CID 65373326
3-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methyl-5-sulfamoylbenzamide
CID 99719134
N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide
CID 117044863
2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide
CID 65388013
4-bromo-2-fluoro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388350

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide (CID 65388717) is 2,4-dichloro-5-fluoro-N-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide is CC(C)CN(C)C(=O)c1cc(F)c(Cl)c(S(N)(=O)=O)c1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide?
The InChIKey is ZMCWRXSAMVOAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2FN2O3S/c1-6(2)5-17(3)12(18)7-4-8(15)10(14)11(9(7)13)21(16,19)20/h4,6H,5H2,1-3H3,(H2,16,19,20).
What are the key properties of 2,4-dichloro-5-fluoro-N-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide?
2,4-dichloro-5-fluoro-N-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide has a molecular weight of 357.23 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 65388717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).