2-[(4-bromo-3-fluorophenyl)sulfonyl-propylamino]-N-methylacetamide

C12H16BrFN2O3S — CID 103697437

IUPAC2-[(4-bromo-3-fluorophenyl)sulfonyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H16BrFN2O3S/c1-3-6-16(8-12(17)15-2)20(18,19)9-4-5-10(13)11(14)7-9/h4-5,7H,3,6,8H2,1-2H3,(H,15,17)
InChIKeyOVDZTSXNMSQFHD-UHFFFAOYSA-N
MW367.24 g/mol
LogP1.73
Rot. Bonds6

About 2-[(4-bromo-3-fluorophenyl)sulfonyl-propylamino]-N-methylacetamide

2-[(4-bromo-3-fluorophenyl)sulfonyl-propylamino]-N-methylacetamide (PubChem CID 103697437) has the molecular formula C12H16BrFN2O3S and a molecular weight of 367.24 g/mol. Its IUPAC name is 2-[(4-bromo-3-fluorophenyl)sulfonyl-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-bromo-3-fluorophenyl)sulfonyl-propylamino]-N-methylacetamide
PubChem CID103697437
Molecular FormulaC12H16BrFN2O3S
Molecular Weight367.24 g/mol
Exact Mass366.00
IUPAC Name2-[(4-bromo-3-fluorophenyl)sulfonyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H16BrFN2O3S/c1-3-6-16(8-12(17)15-2)20(18,19)9-4-5-10(13)11(14)7-9/h4-5,7H,3,6,8H2,1-2H3,(H,15,17)
InChIKeyOVDZTSXNMSQFHD-UHFFFAOYSA-N
XLogP1.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxyphenyl)sulfonyl-propylamino]-N-methylacetamide
CID 54985267
4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]benzoic acid
CID 51087981
4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 103833721
4-bromo-N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 103697346
4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 103834154
2-[[4-(2-chloroethyl)phenyl]sulfonyl-propylamino]-N-methylacetamide
CID 61042103
2-[(3-amino-2,4-difluorophenyl)sulfonyl-propylamino]-N-methylacetamide
CID 107343346
2-[(6-chloro-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide
CID 47298920
2-bromo-5-(dipropylsulfamoyl)benzoic acid
CID 43216890
2-[(4-fluorophenyl)sulfonyl-propylamino]-N-propylacetamide
CID 60627428
2-[(3-bromophenyl)sulfonyl-propylamino]-N-propylacetamide
CID 61060306
2-[(4-bromo-3-fluorophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 107650373

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-fluorophenyl)sulfonyl-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-bromo-3-fluorophenyl)sulfonyl-propylamino]-N-methylacetamide (CID 103697437) is 2-[(4-bromo-3-fluorophenyl)sulfonyl-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-bromo-3-fluorophenyl)sulfonyl-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-bromo-3-fluorophenyl)sulfonyl-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)S(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 2-[(4-bromo-3-fluorophenyl)sulfonyl-propylamino]-N-methylacetamide?
The InChIKey is OVDZTSXNMSQFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O3S/c1-3-6-16(8-12(17)15-2)20(18,19)9-4-5-10(13)11(14)7-9/h4-5,7H,3,6,8H2,1-2H3,(H,15,17).
What are the key properties of 2-[(4-bromo-3-fluorophenyl)sulfonyl-propylamino]-N-methylacetamide?
2-[(4-bromo-3-fluorophenyl)sulfonyl-propylamino]-N-methylacetamide has a molecular weight of 367.24 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-fluorophenyl)sulfonyl-propylamino]-N-methylacetamide is sourced from PubChem (CID 103697437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).