2-[(3-bromophenyl)methylsulfamoyl]acetic acid

C9H10BrNO4S — CID 61401339

IUPAC2-[(3-bromophenyl)methylsulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NCc1cccc(Br)c1
InChIInChI=1S/C9H10BrNO4S/c10-8-3-1-2-7(4-8)5-11-16(14,15)6-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKeyYWBHCGTWMMFEAW-UHFFFAOYSA-N
MW308.15 g/mol
LogP0.95
Rot. Bonds5

About 2-[(3-bromophenyl)methylsulfamoyl]acetic acid

2-[(3-bromophenyl)methylsulfamoyl]acetic acid (PubChem CID 61401339) has the molecular formula C9H10BrNO4S and a molecular weight of 308.15 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylsulfamoyl]acetic acid
PubChem CID61401339
Molecular FormulaC9H10BrNO4S
Molecular Weight308.15 g/mol
Exact Mass306.95
IUPAC Name2-[(3-bromophenyl)methylsulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NCc1cccc(Br)c1
InChIInChI=1S/C9H10BrNO4S/c10-8-3-1-2-7(4-8)5-11-16(14,15)6-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKeyYWBHCGTWMMFEAW-UHFFFAOYSA-N
XLogP0.95
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid
CID 43361997
2-amino-N-[(3-bromophenyl)methyl]ethanesulfonamide
CID 61410493
2-[(3-bromophenyl)methylsulfonyl]acetic acid
CID 24709843
N-[(3-bromophenyl)methylsulfamoyl]aniline
CID 166696368
N-[(3-bromophenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 66604294
2-[[4-(aminomethyl)phenyl]methylsulfamoyl]acetic acid
CID 81091134
N-[(3-bromophenyl)methyl]-3-methylbutane-1-sulfonamide
CID 63373516
4-amino-N-[(3-bromophenyl)methyl]butane-1-sulfonamide
CID 106018731
3-[(3-bromophenyl)methylsulfamoyl]benzoic acid
CID 61401315
2-[(4-hydroxyphenyl)methylsulfamoyl]acetic acid
CID 114331325
5-bromo-4-[(3-bromophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62830234
2-[(3-bromophenyl)methylcarbamoylamino]acetic acid
CID 16781261

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methylsulfamoyl]acetic acid?
The IUPAC name of 2-[(3-bromophenyl)methylsulfamoyl]acetic acid (CID 61401339) is 2-[(3-bromophenyl)methylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[(3-bromophenyl)methylsulfamoyl]acetic acid?
The canonical SMILES for 2-[(3-bromophenyl)methylsulfamoyl]acetic acid is O=C(O)CS(=O)(=O)NCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methylsulfamoyl]acetic acid?
The InChIKey is YWBHCGTWMMFEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO4S/c10-8-3-1-2-7(4-8)5-11-16(14,15)6-9(12)13/h1-4,11H,5-6H2,(H,12,13).
What are the key properties of 2-[(3-bromophenyl)methylsulfamoyl]acetic acid?
2-[(3-bromophenyl)methylsulfamoyl]acetic acid has a molecular weight of 308.15 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methylsulfamoyl]acetic acid is sourced from PubChem (CID 61401339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).