N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-thiophen-2-ylbenzenesulfonamide

C17H11BrF3NO3S2 — CID 69198455

IUPACN-[3-bromo-4-(trifluoromethoxy)phenyl]-4-thiophen-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)c(Br)c1)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C17H11BrF3NO3S2/c18-14-10-12(5-8-15(14)25-17(19,20)21)22-27(23,24)13-6-3-11(4-7-13)16-2-1-9-26-16/h1-10,22H
InChIKeyIPTLNMHEMGWALG-UHFFFAOYSA-N
MW478.31 g/mol
LogP5.88
Rot. Bonds5

About N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-thiophen-2-ylbenzenesulfonamide

N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-thiophen-2-ylbenzenesulfonamide (PubChem CID 69198455) has the molecular formula C17H11BrF3NO3S2 and a molecular weight of 478.31 g/mol. Its IUPAC name is N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-thiophen-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-bromo-4-(trifluoromethoxy)phenyl]-4-thiophen-2-ylbenzenesulfonamide
PubChem CID69198455
Molecular FormulaC17H11BrF3NO3S2
Molecular Weight478.31 g/mol
Exact Mass476.93
IUPAC NameN-[3-bromo-4-(trifluoromethoxy)phenyl]-4-thiophen-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)c(Br)c1)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C17H11BrF3NO3S2/c18-14-10-12(5-8-15(14)25-17(19,20)21)22-27(23,24)13-6-3-11(4-7-13)16-2-1-9-26-16/h1-10,22H
InChIKeyIPTLNMHEMGWALG-UHFFFAOYSA-N
XLogP5.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.31
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-phenylthiophen-3-yl)-2-(trifluoromethoxy)benzenesulfonamide
CID 67299254
5-bromo-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 3281269
5-bromo-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 3876130
4,5-dibromo-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 4678259
5-bromo-N-[4-(trifluoromethoxy)phenyl]-2-thiophenesulfonamide
CID 22203293
5-bromo-N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide
CID 22207058
N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 24525651
3-bromo-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 61062711
3-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-2-sulfonamide
CID 61062775
3-bromo-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 61062863
N-[4-phenoxy-2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 71936757
5-bromo-N-[4-(difluoromethoxy)phenyl]-4-methylthiophene-2-sulfonamide
CID 79913064

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-thiophen-2-ylbenzenesulfonamide?
The IUPAC name of N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-thiophen-2-ylbenzenesulfonamide (CID 69198455) is N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-thiophen-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-thiophen-2-ylbenzenesulfonamide?
The canonical SMILES for N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-thiophen-2-ylbenzenesulfonamide is O=S(=O)(Nc1ccc(OC(F)(F)F)c(Br)c1)c1ccc(-c2cccs2)cc1.
What is the InChIKey of N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-thiophen-2-ylbenzenesulfonamide?
The InChIKey is IPTLNMHEMGWALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF3NO3S2/c18-14-10-12(5-8-15(14)25-17(19,20)21)22-27(23,24)13-6-3-11(4-7-13)16-2-1-9-26-16/h1-10,22H.
What are the key properties of N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-thiophen-2-ylbenzenesulfonamide?
N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-thiophen-2-ylbenzenesulfonamide has a molecular weight of 478.31 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-thiophen-2-ylbenzenesulfonamide is sourced from PubChem (CID 69198455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).