2-bromo-4-(2,2-difluoropropylsulfamoyl)benzoic acid

C10H10BrF2NO4S — CID 146130947

IUPAC2-bromo-4-(2,2-difluoropropylsulfamoyl)benzoic acid
SMILESCC(F)(F)CNS(=O)(=O)c1ccc(C(=O)O)c(Br)c1
InChIInChI=1S/C10H10BrF2NO4S/c1-10(12,13)5-14-19(17,18)6-2-3-7(9(15)16)8(11)4-6/h2-4,14H,5H2,1H3,(H,15,16)
InChIKeyGGEIFRWFUJVRPG-UHFFFAOYSA-N
MW358.16 g/mol
LogP2.08
Rot. Bonds5

About 2-bromo-4-(2,2-difluoropropylsulfamoyl)benzoic acid

2-bromo-4-(2,2-difluoropropylsulfamoyl)benzoic acid (PubChem CID 146130947) has the molecular formula C10H10BrF2NO4S and a molecular weight of 358.16 g/mol. Its IUPAC name is 2-bromo-4-(2,2-difluoropropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-bromo-4-(2,2-difluoropropylsulfamoyl)benzoic acid
PubChem CID146130947
Molecular FormulaC10H10BrF2NO4S
Molecular Weight358.16 g/mol
Exact Mass356.95
IUPAC Name2-bromo-4-(2,2-difluoropropylsulfamoyl)benzoic acid
SMILESCC(F)(F)CNS(=O)(=O)c1ccc(C(=O)O)c(Br)c1
InChIInChI=1S/C10H10BrF2NO4S/c1-10(12,13)5-14-19(17,18)6-2-3-7(9(15)16)8(11)4-6/h2-4,14H,5H2,1H3,(H,15,16)
InChIKeyGGEIFRWFUJVRPG-UHFFFAOYSA-N
XLogP2.08
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.16
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[(2-methyl-2-methylsulfonylpropyl)sulfamoyl]benzoic acid
CID 136549038
4-amino-N-(2,2-difluoropropyl)benzenesulfonamide
CID 71579055
2-fluoro-5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]benzoic acid
CID 104654829
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 106168637
2-bromo-5-[2-(methanesulfonamido)ethylsulfamoyl]benzoic acid
CID 43420745
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-iodobenzoic acid
CID 106168555
3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 106546244
N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide
CID 103829047
2-bromo-5-[[(2R)-2-hydroxypropyl]sulfamoyl]benzoic acid
CID 107216066
N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide
CID 120711584
3-[(4-bromo-3-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071466
2-methoxy-5-(3,3,3-trifluoropropylsulfamoyl)benzoic acid
CID 63225957

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,2-difluoropropylsulfamoyl)benzoic acid?
The IUPAC name of 2-bromo-4-(2,2-difluoropropylsulfamoyl)benzoic acid (CID 146130947) is 2-bromo-4-(2,2-difluoropropylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-bromo-4-(2,2-difluoropropylsulfamoyl)benzoic acid?
The canonical SMILES for 2-bromo-4-(2,2-difluoropropylsulfamoyl)benzoic acid is CC(F)(F)CNS(=O)(=O)c1ccc(C(=O)O)c(Br)c1.
What is the InChIKey of 2-bromo-4-(2,2-difluoropropylsulfamoyl)benzoic acid?
The InChIKey is GGEIFRWFUJVRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO4S/c1-10(12,13)5-14-19(17,18)6-2-3-7(9(15)16)8(11)4-6/h2-4,14H,5H2,1H3,(H,15,16).
What are the key properties of 2-bromo-4-(2,2-difluoropropylsulfamoyl)benzoic acid?
2-bromo-4-(2,2-difluoropropylsulfamoyl)benzoic acid has a molecular weight of 358.16 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,2-difluoropropylsulfamoyl)benzoic acid is sourced from PubChem (CID 146130947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).