3-bromo-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide

C10H8BrClF3NO2S — CID 106214866

IUPAC3-bromo-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H8BrClF3NO2S/c11-7-5-6(1-2-8(7)12)19(17,18)16-9(3-4-9)10(13,14)15/h1-2,5,16H,3-4H2
InChIKeyADYJBJFLSOJVKC-UHFFFAOYSA-N
MW378.60 g/mol
LogP3.48
Rot. Bonds3

About 3-bromo-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide

3-bromo-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide (PubChem CID 106214866) has the molecular formula C10H8BrClF3NO2S and a molecular weight of 378.60 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
PubChem CID106214866
Molecular FormulaC10H8BrClF3NO2S
Molecular Weight378.60 g/mol
Exact Mass376.91
IUPAC Name3-bromo-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H8BrClF3NO2S/c11-7-5-6(1-2-8(7)12)19(17,18)16-9(3-4-9)10(13,14)15/h1-2,5,16H,3-4H2
InChIKeyADYJBJFLSOJVKC-UHFFFAOYSA-N
XLogP3.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.60
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide (CID 106214866) is 3-bromo-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide is O=S(=O)(NC1(C(F)(F)F)CC1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The InChIKey is ADYJBJFLSOJVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClF3NO2S/c11-7-5-6(1-2-8(7)12)19(17,18)16-9(3-4-9)10(13,14)15/h1-2,5,16H,3-4H2.
What are the key properties of 3-bromo-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
3-bromo-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide has a molecular weight of 378.60 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 106214866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).