5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

C14H11BrF3NO3S — CID 26970310

IUPAC5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11BrF3NO3S/c1-22-12-7-4-10(15)8-13(12)23(20,21)19-11-5-2-9(3-6-11)14(16,17)18/h2-8,19H,1H3
InChIKeyZICCGOSXCWQVER-UHFFFAOYSA-N
MW410.21 g/mol
LogP4.28
Rot. Bonds4

About 5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 26970310) has the molecular formula C14H11BrF3NO3S and a molecular weight of 410.21 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID26970310
Molecular FormulaC14H11BrF3NO3S
Molecular Weight410.21 g/mol
Exact Mass408.96
IUPAC Name5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11BrF3NO3S/c1-22-12-7-4-10(15)8-13(12)23(20,21)19-11-5-2-9(3-6-11)14(16,17)18/h2-8,19H,1H3
InChIKeyZICCGOSXCWQVER-UHFFFAOYSA-N
XLogP4.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.21
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methoxybenzenesulfonamide
CID 3712259
2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2538540
5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide
CID 35940097
5-bromo-2-methoxy-N-[4-[3-propan-2-yloxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]benzenesulfonamide
CID 83274862
5-bromo-2-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26983087
5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
CID 850108
N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965710
5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3866014
5-bromo-2-methoxy-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide
CID 3768639
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate
CID 25045124

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 26970310) is 5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is ZICCGOSXCWQVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO3S/c1-22-12-7-4-10(15)8-13(12)23(20,21)19-11-5-2-9(3-6-11)14(16,17)18/h2-8,19H,1H3.
What are the key properties of 5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 410.21 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 26970310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).