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

C14H11BrF3NO3S — CID 3800442

IUPACN-[2-bromo-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Br)cc1
InChIInChI=1S/C14H11BrF3NO3S/c1-22-10-3-5-11(6-4-10)23(20,21)19-13-8-9(14(16,17)18)2-7-12(13)15/h2-8,19H,1H3
InChIKeyPRBKIQRPWOMELX-UHFFFAOYSA-N
MW410.21 g/mol
LogP4.28
Rot. Bonds4

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

N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide (PubChem CID 3800442) has the molecular formula C14H11BrF3NO3S and a molecular weight of 410.21 g/mol. Its IUPAC name is N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-bromo-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
PubChem CID3800442
Molecular FormulaC14H11BrF3NO3S
Molecular Weight410.21 g/mol
Exact Mass408.96
IUPAC NameN-[2-bromo-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Br)cc1
InChIInChI=1S/C14H11BrF3NO3S/c1-22-10-3-5-11(6-4-10)23(20,21)19-13-8-9(14(16,17)18)2-7-12(13)15/h2-8,19H,1H3
InChIKeyPRBKIQRPWOMELX-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

N-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3673707
4-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3859030
2-[(4-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide
CID 175931825
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 3858047
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3463733
N-[2-bromo-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 68679977
2-[(4-methoxyphenyl)sulfonylamino]-4-(trifluoromethyl)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]benzamide
CID 153282073
4-bromo-N-[2-nitro-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 174931196
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 26964948
methyl 3-[[2-bromo-5-(trifluoromethyl)phenyl]sulfamoyl]-4-ethylbenzoate
CID 155271841
4-methyl-N-[2-naphthalen-2-yloxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 169373057
4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 43001289

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide (CID 3800442) is N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Br)cc1.
What is the InChIKey of N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is PRBKIQRPWOMELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO3S/c1-22-10-3-5-11(6-4-10)23(20,21)19-13-8-9(14(16,17)18)2-7-12(13)15/h2-8,19H,1H3.
What are the key properties of N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide?
N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide 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 N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 3800442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).