3-bromo-4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C11H10BrClF3NO2S — CID 106545729

IUPAC3-bromo-4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)c(Br)c1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H10BrClF3NO2S/c12-9-5-8(3-4-10(9)13)20(18,19)17(7-1-2-7)6-11(14,15)16/h3-5,7H,1-2,6H2
InChIKeyRAOZOJQHBHGEOY-UHFFFAOYSA-N
MW392.62 g/mol
LogP3.82
Rot. Bonds4

About 3-bromo-4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

3-bromo-4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 106545729) has the molecular formula C11H10BrClF3NO2S and a molecular weight of 392.62 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID106545729
Molecular FormulaC11H10BrClF3NO2S
Molecular Weight392.62 g/mol
Exact Mass390.93
IUPAC Name3-bromo-4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)c(Br)c1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H10BrClF3NO2S/c12-9-5-8(3-4-10(9)13)20(18,19)17(7-1-2-7)6-11(14,15)16/h3-5,7H,1-2,6H2
InChIKeyRAOZOJQHBHGEOY-UHFFFAOYSA-N
XLogP3.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.62
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 54983762
4-bromo-2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61217134
4-bromo-2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61384850
3-bromo-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106214866
1-(3-Bromo-4-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 106545197
3-bromo-4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 106545481
3-bromo-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 106545538
3-bromo-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 106545712
3-bromo-4-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide
CID 106545969
1-(3-Bromo-4-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine
CID 106546366
3-bromo-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 106546396
3-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 106546576

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 106545729) is 3-bromo-4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is O=S(=O)(c1ccc(Cl)c(Br)c1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 3-bromo-4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is RAOZOJQHBHGEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClF3NO2S/c12-9-5-8(3-4-10(9)13)20(18,19)17(7-1-2-7)6-11(14,15)16/h3-5,7H,1-2,6H2.
What are the key properties of 3-bromo-4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
3-bromo-4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 392.62 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 106545729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).