3-bromo-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide

C10H10BrClF3NO2S — CID 106545712

IUPAC3-bromo-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESCN(CCC(F)(F)F)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H10BrClF3NO2S/c1-16(5-4-10(13,14)15)19(17,18)7-2-3-9(12)8(11)6-7/h2-3,6H,4-5H2,1H3
InChIKeyROICHAOJJJHZBI-UHFFFAOYSA-N
MW380.61 g/mol
LogP3.68
Rot. Bonds4

About 3-bromo-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide

3-bromo-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide (PubChem CID 106545712) has the molecular formula C10H10BrClF3NO2S and a molecular weight of 380.61 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
PubChem CID106545712
Molecular FormulaC10H10BrClF3NO2S
Molecular Weight380.61 g/mol
Exact Mass378.93
IUPAC Name3-bromo-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESCN(CCC(F)(F)F)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H10BrClF3NO2S/c1-16(5-4-10(13,14)15)19(17,18)7-2-3-9(12)8(11)6-7/h2-3,6H,4-5H2,1H3
InChIKeyROICHAOJJJHZBI-UHFFFAOYSA-N
XLogP3.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.61
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-2-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 121303979
1-(4-Bromo-3-chlorophenyl)sulfonyl-3,3-difluoroazetidine
CID 141754332
4-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 54941961
3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60757222
4-bromo-2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 61384512
3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 61384522
3-bromo-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106214866
3-bromo-4-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106432524
1-(3-Bromo-4-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 106545197
3-bromo-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzenesulfonamide
CID 106545371
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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide (CID 106545712) is 3-bromo-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide is CN(CCC(F)(F)F)S(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The InChIKey is ROICHAOJJJHZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClF3NO2S/c1-16(5-4-10(13,14)15)19(17,18)7-2-3-9(12)8(11)6-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 3-bromo-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
3-bromo-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide has a molecular weight of 380.61 g/mol, XLogP of 3.68, 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-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide is sourced from PubChem (CID 106545712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).