N-butan-2-yl-2,4-dichloro-5-fluoro-N-methyl-3-sulfamoylbenzamide

C12H15Cl2FN2O3S — CID 65386227

IUPACN-butan-2-yl-2,4-dichloro-5-fluoro-N-methyl-3-sulfamoylbenzamide
SMILESCCC(C)N(C)C(=O)c1cc(F)c(Cl)c(S(N)(=O)=O)c1Cl
InChIInChI=1S/C12H15Cl2FN2O3S/c1-4-6(2)17(3)12(18)7-5-8(15)10(14)11(9(7)13)21(16,19)20/h5-6H,4H2,1-3H3,(H2,16,19,20)
InChIKeyZUIUYPBHIPKLIH-UHFFFAOYSA-N
MW357.23 g/mol
LogP2.65
Rot. Bonds4

About N-butan-2-yl-2,4-dichloro-5-fluoro-N-methyl-3-sulfamoylbenzamide

N-butan-2-yl-2,4-dichloro-5-fluoro-N-methyl-3-sulfamoylbenzamide (PubChem CID 65386227) has the molecular formula C12H15Cl2FN2O3S and a molecular weight of 357.23 g/mol. Its IUPAC name is N-butan-2-yl-2,4-dichloro-5-fluoro-N-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-2,4-dichloro-5-fluoro-N-methyl-3-sulfamoylbenzamide
PubChem CID65386227
Molecular FormulaC12H15Cl2FN2O3S
Molecular Weight357.23 g/mol
Exact Mass356.02
IUPAC NameN-butan-2-yl-2,4-dichloro-5-fluoro-N-methyl-3-sulfamoylbenzamide
SMILESCCC(C)N(C)C(=O)c1cc(F)c(Cl)c(S(N)(=O)=O)c1Cl
InChIInChI=1S/C12H15Cl2FN2O3S/c1-4-6(2)17(3)12(18)7-5-8(15)10(14)11(9(7)13)21(16,19)20/h5-6H,4H2,1-3H3,(H2,16,19,20)
InChIKeyZUIUYPBHIPKLIH-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,4-dichloro-5-fluoro-N-methyl-3-sulfamoylbenzamide?
The IUPAC name of N-butan-2-yl-2,4-dichloro-5-fluoro-N-methyl-3-sulfamoylbenzamide (CID 65386227) is N-butan-2-yl-2,4-dichloro-5-fluoro-N-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for N-butan-2-yl-2,4-dichloro-5-fluoro-N-methyl-3-sulfamoylbenzamide?
The canonical SMILES for N-butan-2-yl-2,4-dichloro-5-fluoro-N-methyl-3-sulfamoylbenzamide is CCC(C)N(C)C(=O)c1cc(F)c(Cl)c(S(N)(=O)=O)c1Cl.
What is the InChIKey of N-butan-2-yl-2,4-dichloro-5-fluoro-N-methyl-3-sulfamoylbenzamide?
The InChIKey is ZUIUYPBHIPKLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2FN2O3S/c1-4-6(2)17(3)12(18)7-5-8(15)10(14)11(9(7)13)21(16,19)20/h5-6H,4H2,1-3H3,(H2,16,19,20).
What are the key properties of N-butan-2-yl-2,4-dichloro-5-fluoro-N-methyl-3-sulfamoylbenzamide?
N-butan-2-yl-2,4-dichloro-5-fluoro-N-methyl-3-sulfamoylbenzamide has a molecular weight of 357.23 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,4-dichloro-5-fluoro-N-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 65386227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).