(3-bromo-4-fluorophenyl)sulfonyl-propan-2-ylcarbamic acid

C10H11BrFNO4S — CID 155343233

IUPAC(3-bromo-4-fluorophenyl)sulfonyl-propan-2-ylcarbamic acid
SMILESCC(C)N(C(=O)O)S(=O)(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrFNO4S/c1-6(2)13(10(14)15)18(16,17)7-3-4-9(12)8(11)5-7/h3-6H,1-2H3,(H,14,15)
InChIKeyAHDLYAFOBWEOAU-UHFFFAOYSA-N
MW340.17 g/mol
LogP2.67
Rot. Bonds3

About (3-bromo-4-fluorophenyl)sulfonyl-propan-2-ylcarbamic acid

(3-bromo-4-fluorophenyl)sulfonyl-propan-2-ylcarbamic acid (PubChem CID 155343233) has the molecular formula C10H11BrFNO4S and a molecular weight of 340.17 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)sulfonyl-propan-2-ylcarbamic acid.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)sulfonyl-propan-2-ylcarbamic acid
PubChem CID155343233
Molecular FormulaC10H11BrFNO4S
Molecular Weight340.17 g/mol
Exact Mass338.96
IUPAC Name(3-bromo-4-fluorophenyl)sulfonyl-propan-2-ylcarbamic acid
SMILESCC(C)N(C(=O)O)S(=O)(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrFNO4S/c1-6(2)13(10(14)15)18(16,17)7-3-4-9(12)8(11)5-7/h3-6H,1-2H3,(H,14,15)
InChIKeyAHDLYAFOBWEOAU-UHFFFAOYSA-N
XLogP2.67
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119982997
(3-bromo-4-fluorophenyl)-imino-methyl-oxo-λ6-sulfane
CID 135226829
N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 119992402
3-bromo-4-fluoro-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 168940429
2-[(4-bromo-3-fluorophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 107650373
N-(3-aminobutyl)-3-bromo-4-fluorobenzenesulfonamide
CID 119972812
(2R)-2-[[4-(acetamidomethyl)phenyl]methyl-(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxypropanamide
CID 122196501
4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 103697221
2-fluoro-5-[propan-2-yl(propyl)sulfamoyl]benzoic acid
CID 43269326
4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 103697508
2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid
CID 43467343
N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide
CID 47271271

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)sulfonyl-propan-2-ylcarbamic acid?
The IUPAC name of (3-bromo-4-fluorophenyl)sulfonyl-propan-2-ylcarbamic acid (CID 155343233) is (3-bromo-4-fluorophenyl)sulfonyl-propan-2-ylcarbamic acid.
What is the SMILES notation for (3-bromo-4-fluorophenyl)sulfonyl-propan-2-ylcarbamic acid?
The canonical SMILES for (3-bromo-4-fluorophenyl)sulfonyl-propan-2-ylcarbamic acid is CC(C)N(C(=O)O)S(=O)(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)sulfonyl-propan-2-ylcarbamic acid?
The InChIKey is AHDLYAFOBWEOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO4S/c1-6(2)13(10(14)15)18(16,17)7-3-4-9(12)8(11)5-7/h3-6H,1-2H3,(H,14,15).
What are the key properties of (3-bromo-4-fluorophenyl)sulfonyl-propan-2-ylcarbamic acid?
(3-bromo-4-fluorophenyl)sulfonyl-propan-2-ylcarbamic acid has a molecular weight of 340.17 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)sulfonyl-propan-2-ylcarbamic acid is sourced from PubChem (CID 155343233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).