N-(2-bromo-6-chloro-4-fluorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide

C12H15BrClFN2O2S — CID 106087688

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H15BrClFN2O2S/c1-7(6-16-9-2-3-9)20(18,19)17-12-10(13)4-8(15)5-11(12)14/h4-5,7,9,16-17H,2-3,6H2,1H3
InChIKeyNZSCWMLGWKWEED-UHFFFAOYSA-N
MW385.69 g/mol
LogP3.12
Rot. Bonds6

About N-(2-bromo-6-chloro-4-fluorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide

N-(2-bromo-6-chloro-4-fluorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide (PubChem CID 106087688) has the molecular formula C12H15BrClFN2O2S and a molecular weight of 385.69 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide
PubChem CID106087688
Molecular FormulaC12H15BrClFN2O2S
Molecular Weight385.69 g/mol
Exact Mass383.97
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H15BrClFN2O2S/c1-7(6-16-9-2-3-9)20(18,19)17-12-10(13)4-8(15)5-11(12)14/h4-5,7,9,16-17H,2-3,6H2,1H3
InChIKeyNZSCWMLGWKWEED-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.69
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4,6-difluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 61549374
N-(2-bromo-4,6-difluorophenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 61549438
N-(2-chloro-4,6-difluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 83087115
N-(2-chloro-4,6-difluorophenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 83088481
2-bromo-6-chloro-N-(3-ethylsulfonylpropyl)-4-fluoroaniline
CID 104878277
2-bromo-6-chloro-4-fluoro-N-(3-methylsulfonylpropyl)aniline
CID 104878290
N-(2-bromo-6-chloro-4-fluorophenyl)cyclopentanesulfonamide
CID 104922621
N-(2-bromo-6-chloro-4-fluorophenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 104922627
N-(2-bromo-6-chloro-4-fluorophenyl)propane-2-sulfonamide
CID 104922630
N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxyethanesulfonamide
CID 104922634
N-(2-bromo-6-chloro-4-fluorophenyl)cyclopropanesulfonamide
CID 104922637
N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropane-1-sulfonamide
CID 104922646

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide (CID 106087688) is N-(2-bromo-6-chloro-4-fluorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide is CC(CNC1CC1)S(=O)(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide?
The InChIKey is NZSCWMLGWKWEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClFN2O2S/c1-7(6-16-9-2-3-9)20(18,19)17-12-10(13)4-8(15)5-11(12)14/h4-5,7,9,16-17H,2-3,6H2,1H3.
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide has a molecular weight of 385.69 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide is sourced from PubChem (CID 106087688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).