3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide

C14H10BrClF3NO3S — CID 1345813

IUPAC3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Br
InChIInChI=1S/C14H10BrClF3NO3S/c1-23-13-5-3-9(7-11(13)15)24(21,22)20-8-2-4-12(16)10(6-8)14(17,18)19/h2-7,20H,1H3
InChIKeyQAIFANLYCHTHLI-UHFFFAOYSA-N
MW444.66 g/mol
LogP4.93
Rot. Bonds4

About 3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide

3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide (PubChem CID 1345813) has the molecular formula C14H10BrClF3NO3S and a molecular weight of 444.66 g/mol. Its IUPAC name is 3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
PubChem CID1345813
Molecular FormulaC14H10BrClF3NO3S
Molecular Weight444.66 g/mol
Exact Mass442.92
IUPAC Name3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Br
InChIInChI=1S/C14H10BrClF3NO3S/c1-23-13-5-3-9(7-11(13)15)24(21,22)20-8-2-4-12(16)10(6-8)14(17,18)19/h2-7,20H,1H3
InChIKeyQAIFANLYCHTHLI-UHFFFAOYSA-N
XLogP4.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.66
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide
CID 27658187
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methoxybenzenesulfonamide
CID 3712259
4-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 36513836
2,3-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 126190415
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 1295813
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 25469886
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100666453
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide
CID 3775544
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 3858047
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28560482
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4832626
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide (CID 1345813) is 3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Br.
What is the InChIKey of 3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is QAIFANLYCHTHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF3NO3S/c1-23-13-5-3-9(7-11(13)15)24(21,22)20-8-2-4-12(16)10(6-8)14(17,18)19/h2-7,20H,1H3.
What are the key properties of 3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide?
3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 444.66 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 1345813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).