4-bromo-2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide

C10H10BrClF3NO2S — CID 61384512

IUPAC4-bromo-2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESCN(CCC(F)(F)F)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H10BrClF3NO2S/c1-16(5-4-10(13,14)15)19(17,18)9-3-2-7(11)6-8(9)12/h2-3,6H,4-5H2,1H3
InChIKeyCEBAJPYLZUQXIK-UHFFFAOYSA-N
MW380.61 g/mol
LogP3.68
Rot. Bonds4

About 4-bromo-2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide

4-bromo-2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide (PubChem CID 61384512) has the molecular formula C10H10BrClF3NO2S and a molecular weight of 380.61 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
PubChem CID61384512
Molecular FormulaC10H10BrClF3NO2S
Molecular Weight380.61 g/mol
Exact Mass378.93
IUPAC Name4-bromo-2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESCN(CCC(F)(F)F)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H10BrClF3NO2S/c1-16(5-4-10(13,14)15)19(17,18)9-3-2-7(11)6-8(9)12/h2-3,6H,4-5H2,1H3
InChIKeyCEBAJPYLZUQXIK-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide (CID 61384512) is 4-bromo-2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide is CN(CCC(F)(F)F)S(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The InChIKey is CEBAJPYLZUQXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClF3NO2S/c1-16(5-4-10(13,14)15)19(17,18)9-3-2-7(11)6-8(9)12/h2-3,6H,4-5H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
4-bromo-2-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 4-bromo-2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide is sourced from PubChem (CID 61384512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).