3-bromo-N-methyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide

C11H13BrF3NO3S — CID 170743723

IUPAC3-bromo-N-methyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide
SMILESCCCN(C)S(=O)(=O)c1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C11H13BrF3NO3S/c1-3-6-16(2)20(17,18)8-4-5-10(9(12)7-8)19-11(13,14)15/h4-5,7H,3,6H2,1-2H3
InChIKeyDYTODOSLDDJWKC-UHFFFAOYSA-N
MW376.19 g/mol
LogP3.38
Rot. Bonds5

About 3-bromo-N-methyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide

3-bromo-N-methyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 170743723) has the molecular formula C11H13BrF3NO3S and a molecular weight of 376.19 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID170743723
Molecular FormulaC11H13BrF3NO3S
Molecular Weight376.19 g/mol
Exact Mass374.98
IUPAC Name3-bromo-N-methyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide
SMILESCCCN(C)S(=O)(=O)c1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C11H13BrF3NO3S/c1-3-6-16(2)20(17,18)8-4-5-10(9(12)7-8)19-11(13,14)15/h4-5,7H,3,6H2,1-2H3
InChIKeyDYTODOSLDDJWKC-UHFFFAOYSA-N
XLogP3.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-[methyl(propyl)sulfamoyl]benzoic acid
CID 43271131
3-bromo-4-methoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61060027
3-bromo-N-methyl-N-propylbenzenesulfonamide
CID 60823312
3-bromo-N-(5-hydroxypentyl)-4-methoxy-N-methylbenzenesulfonamide
CID 104982030
4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide
CID 82843782
3-ethyl-4-(trifluoromethoxy)benzenesulfonamide
CID 170999141
4-bromo-N-butyl-N,3-dimethylbenzenesulfonamide
CID 54917653
N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide
CID 55103943
4-bromo-N-[(2S)-1,1,1-trifluorobutan-2-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 121302009
N-(3-amino-2,2-dimethylpropyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide
CID 79653090
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 31391904
N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 17154292

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 3-bromo-N-methyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide (CID 170743723) is 3-bromo-N-methyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-methyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-methyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide is CCCN(C)S(=O)(=O)c1ccc(OC(F)(F)F)c(Br)c1.
What is the InChIKey of 3-bromo-N-methyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is DYTODOSLDDJWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NO3S/c1-3-6-16(2)20(17,18)8-4-5-10(9(12)7-8)19-11(13,14)15/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 3-bromo-N-methyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide?
3-bromo-N-methyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 376.19 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 170743723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).