4-bromo-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

C11H5BrCl2F3NO2S2 — CID 2810852

IUPAC4-bromo-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(Br)c(Cl)s1
InChIInChI=1S/C11H5BrCl2F3NO2S2/c12-6-4-9(21-10(6)14)22(19,20)18-8-2-1-5(3-7(8)13)11(15,16)17/h1-4,18H
InChIKeyQWPLBCJMQLJGDR-UHFFFAOYSA-N
MW455.10 g/mol
LogP5.64
Rot. Bonds3

About 4-bromo-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

4-bromo-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 2810852) has the molecular formula C11H5BrCl2F3NO2S2 and a molecular weight of 455.10 g/mol. Its IUPAC name is 4-bromo-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-bromo-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID2810852
Molecular FormulaC11H5BrCl2F3NO2S2
Molecular Weight455.10 g/mol
Exact Mass452.83
IUPAC Name4-bromo-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(Br)c(Cl)s1
InChIInChI=1S/C11H5BrCl2F3NO2S2/c12-6-4-9(21-10(6)14)22(19,20)18-8-2-1-5(3-7(8)13)11(15,16)17/h1-4,18H
InChIKeyQWPLBCJMQLJGDR-UHFFFAOYSA-N
XLogP5.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.10
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 139601759
N-[2-chloro-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 971753
3-[(4-bromo-5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 66799929
N-(2-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80735629
5-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-chlorothiophene-2-sulfonamide
CID 107792917
4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 165435692
3-bromo-N-(2-chloro-4-iodophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 98043421
1-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 106002934
N-[2-bromo-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 68679977
N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine
CID 54381375
5-chloro-N-(2,5-dibromophenyl)-4-nitrothiophene-2-sulfonamide
CID 80735740
5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 80578641

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 4-bromo-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (CID 2810852) is 4-bromo-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-bromo-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-bromo-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(Br)c(Cl)s1.
What is the InChIKey of 4-bromo-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is QWPLBCJMQLJGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl2F3NO2S2/c12-6-4-9(21-10(6)14)22(19,20)18-8-2-1-5(3-7(8)13)11(15,16)17/h1-4,18H.
What are the key properties of 4-bromo-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
4-bromo-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 455.10 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2810852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).