N-(4-bromo-3-methylphenyl)-2-fluoro-N-methyl-5-(propan-2-ylsulfamoyl)benzamide

C18H20BrFN2O3S — CID 86963141

IUPACN-(4-bromo-3-methylphenyl)-2-fluoro-N-methyl-5-(propan-2-ylsulfamoyl)benzamide
SMILESCc1cc(N(C)C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)ccc1Br
InChIInChI=1S/C18H20BrFN2O3S/c1-11(2)21-26(24,25)14-6-8-17(20)15(10-14)18(23)22(4)13-5-7-16(19)12(3)9-13/h5-11,21H,1-4H3
InChIKeyYCZQPOKXVNSCJO-UHFFFAOYSA-N
MW443.34 g/mol
LogP3.86
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-2-fluoro-N-methyl-5-(propan-2-ylsulfamoyl)benzamide

N-(4-bromo-3-methylphenyl)-2-fluoro-N-methyl-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 86963141) has the molecular formula C18H20BrFN2O3S and a molecular weight of 443.34 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-fluoro-N-methyl-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-fluoro-N-methyl-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID86963141
Molecular FormulaC18H20BrFN2O3S
Molecular Weight443.34 g/mol
Exact Mass442.04
IUPAC NameN-(4-bromo-3-methylphenyl)-2-fluoro-N-methyl-5-(propan-2-ylsulfamoyl)benzamide
SMILESCc1cc(N(C)C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)ccc1Br
InChIInChI=1S/C18H20BrFN2O3S/c1-11(2)21-26(24,25)14-6-8-17(20)15(10-14)18(23)22(4)13-5-7-16(19)12(3)9-13/h5-11,21H,1-4H3
InChIKeyYCZQPOKXVNSCJO-UHFFFAOYSA-N
XLogP3.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-fluoro-N-methyl-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-fluoro-N-methyl-5-(propan-2-ylsulfamoyl)benzamide (CID 86963141) is N-(4-bromo-3-methylphenyl)-2-fluoro-N-methyl-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-fluoro-N-methyl-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-fluoro-N-methyl-5-(propan-2-ylsulfamoyl)benzamide is Cc1cc(N(C)C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-fluoro-N-methyl-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is YCZQPOKXVNSCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN2O3S/c1-11(2)21-26(24,25)14-6-8-17(20)15(10-14)18(23)22(4)13-5-7-16(19)12(3)9-13/h5-11,21H,1-4H3.
What are the key properties of N-(4-bromo-3-methylphenyl)-2-fluoro-N-methyl-5-(propan-2-ylsulfamoyl)benzamide?
N-(4-bromo-3-methylphenyl)-2-fluoro-N-methyl-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 443.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-fluoro-N-methyl-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 86963141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).