2-[(2-bromophenyl)sulfamoyl]acetic acid

C8H8BrNO4S — CID 28773666

IUPAC2-[(2-bromophenyl)sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C8H8BrNO4S/c9-6-3-1-2-4-7(6)10-15(13,14)5-8(11)12/h1-4,10H,5H2,(H,11,12)
InChIKeyKAQGQTDAFBGOOP-UHFFFAOYSA-N
MW294.13 g/mol
LogP1.28
Rot. Bonds4

About 2-[(2-bromophenyl)sulfamoyl]acetic acid

2-[(2-bromophenyl)sulfamoyl]acetic acid (PubChem CID 28773666) has the molecular formula C8H8BrNO4S and a molecular weight of 294.13 g/mol. Its IUPAC name is 2-[(2-bromophenyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(2-bromophenyl)sulfamoyl]acetic acid
PubChem CID28773666
Molecular FormulaC8H8BrNO4S
Molecular Weight294.13 g/mol
Exact Mass292.94
IUPAC Name2-[(2-bromophenyl)sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C8H8BrNO4S/c9-6-3-1-2-4-7(6)10-15(13,14)5-8(11)12/h1-4,10H,5H2,(H,11,12)
InChIKeyKAQGQTDAFBGOOP-UHFFFAOYSA-N
XLogP1.28
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(naphthalen-1-ylsulfamoyl)acetic acid
CID 28773986
methyl 3-[(2-bromophenyl)sulfamoyl]propanoate
CID 60675405
2-[[2-(methylsulfamoyl)phenyl]sulfamoyl]acetic acid
CID 43696150
2-[(4-bromo-2-fluorophenyl)sulfamoyl]acetic acid
CID 28774124
1-[4-(aminomethyl)phenyl]-N-(2-bromophenyl)methanesulfonamide
CID 106061234
2-bromo-N-(methylsulfamoyl)aniline
CID 71126560
2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]sulfamoyl]acetic acid
CID 43361756
(2-bromophenyl)carbamic acid
CID 15021878
ethyl 2-[(3-bromo-2-methylphenyl)sulfamoyl]acetate
CID 107640763
2-[[2-(3-amino-3-oxopropoxy)phenyl]sulfamoyl]acetic acid
CID 43715705
2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid
CID 104722416
4-(2-bromoanilino)-4-oxobutanoic acid
CID 744789

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(2-bromophenyl)sulfamoyl]acetic acid (CID 28773666) is 2-[(2-bromophenyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(2-bromophenyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(2-bromophenyl)sulfamoyl]acetic acid is O=C(O)CS(=O)(=O)Nc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)sulfamoyl]acetic acid?
The InChIKey is KAQGQTDAFBGOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO4S/c9-6-3-1-2-4-7(6)10-15(13,14)5-8(11)12/h1-4,10H,5H2,(H,11,12).
What are the key properties of 2-[(2-bromophenyl)sulfamoyl]acetic acid?
2-[(2-bromophenyl)sulfamoyl]acetic acid has a molecular weight of 294.13 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)sulfamoyl]acetic acid is sourced from PubChem (CID 28773666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).