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

C10H11BrF3NO2S — CID 61384522

IUPAC3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESCN(CCC(F)(F)F)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C10H11BrF3NO2S/c1-15(6-5-10(12,13)14)18(16,17)9-4-2-3-8(11)7-9/h2-4,7H,5-6H2,1H3
InChIKeyKYHCEFLCQOSUJW-UHFFFAOYSA-N
MW346.17 g/mol
LogP3.02
Rot. Bonds4

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

3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide (PubChem CID 61384522) has the molecular formula C10H11BrF3NO2S and a molecular weight of 346.17 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
PubChem CID61384522
Molecular FormulaC10H11BrF3NO2S
Molecular Weight346.17 g/mol
Exact Mass344.96
IUPAC Name3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESCN(CCC(F)(F)F)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C10H11BrF3NO2S/c1-15(6-5-10(12,13)14)18(16,17)9-4-2-3-8(11)7-9/h2-4,7H,5-6H2,1H3
InChIKeyKYHCEFLCQOSUJW-UHFFFAOYSA-N
XLogP3.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide (CID 61384522) is 3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide is CN(CCC(F)(F)F)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The InChIKey is KYHCEFLCQOSUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO2S/c1-15(6-5-10(12,13)14)18(16,17)9-4-2-3-8(11)7-9/h2-4,7H,5-6H2,1H3.
What are the key properties of 3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide has a molecular weight of 346.17 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide is sourced from PubChem (CID 61384522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).