N-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide

C9H10BrF2NO2S — CID 60640147

IUPACN-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C9H10BrF2NO2S/c1-2-3-16(14,15)13-9-7(10)4-6(11)5-8(9)12/h4-5,13H,2-3H2,1H3
InChIKeyBDYDRCFEGKGDDZ-UHFFFAOYSA-N
MW314.15 g/mol
LogP2.88
Rot. Bonds4

About N-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide

N-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide (PubChem CID 60640147) has the molecular formula C9H10BrF2NO2S and a molecular weight of 314.15 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide
PubChem CID60640147
Molecular FormulaC9H10BrF2NO2S
Molecular Weight314.15 g/mol
Exact Mass312.96
IUPAC NameN-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C9H10BrF2NO2S/c1-2-3-16(14,15)13-9-7(10)4-6(11)5-8(9)12/h4-5,13H,2-3H2,1H3
InChIKeyBDYDRCFEGKGDDZ-UHFFFAOYSA-N
XLogP2.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)methanesulfonamide
CID 3629878
4-Amino-3-bromo-5-fluorobenzene-1-sulfonamide
CID 10869299
4'-Fluoro-2'-bromobenzenesulfonanilide
CID 871861
N-(4-bromophenyl)ethenesulfonamide
CID 70682660
N-(2-bromophenyl)-4-fluorobenzenesulfonamide
CID 835592
4-bromo-N-(2,6-difluorophenyl)benzenesulfonamide
CID 970063
3-bromo-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500882
N-(2-bromo-4,6-difluorophenyl)-2-methoxyethanesulfonamide
CID 86794019
N-(5-bromo-2,4-difluorophenyl)cyclopropanesulfonamide
CID 121523656
N-(4-bromophenyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 86058180
N-(4-bromo-2-fluorophenyl)methanesulfonamide
CID 956286
N-(4-bromo-2-fluorophenyl)ethanesulfonamide
CID 3319661

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide (CID 60640147) is N-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide?
The InChIKey is BDYDRCFEGKGDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NO2S/c1-2-3-16(14,15)13-9-7(10)4-6(11)5-8(9)12/h4-5,13H,2-3H2,1H3.
What are the key properties of N-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide?
N-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide has a molecular weight of 314.15 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide is sourced from PubChem (CID 60640147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).