2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid

C10H12BrNO4S — CID 61263769

IUPAC2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid
SMILESCC(C)(NS(=O)(=O)c1cccc(Br)c1)C(=O)O
InChIInChI=1S/C10H12BrNO4S/c1-10(2,9(13)14)12-17(15,16)8-5-3-4-7(11)6-8/h3-6,12H,1-2H3,(H,13,14)
InChIKeyYIGZQDMCVYYCCK-UHFFFAOYSA-N
MW322.18 g/mol
LogP1.59
Rot. Bonds4

About 2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid

2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid (PubChem CID 61263769) has the molecular formula C10H12BrNO4S and a molecular weight of 322.18 g/mol. Its IUPAC name is 2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid
PubChem CID61263769
Molecular FormulaC10H12BrNO4S
Molecular Weight322.18 g/mol
Exact Mass320.97
IUPAC Name2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid
SMILESCC(C)(NS(=O)(=O)c1cccc(Br)c1)C(=O)O
InChIInChI=1S/C10H12BrNO4S/c1-10(2,9(13)14)12-17(15,16)8-5-3-4-7(11)6-8/h3-6,12H,1-2H3,(H,13,14)
InChIKeyYIGZQDMCVYYCCK-UHFFFAOYSA-N
XLogP1.59
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61262307
2-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 61263607
2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 61263224
3-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide
CID 103697730
2-[(4-bromo-2-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 116527334
3-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide
CID 105060255
2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61263772
3-bromo-N-(1-bromo-2-methylbutan-2-yl)benzenesulfonamide
CID 114293798
3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169573
(2S,3R)-2-[(3-bromophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 28828771
lithium 3-bromobenzenesulfonate
CID 139842272
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 61262298

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid (CID 61263769) is 2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid is CC(C)(NS(=O)(=O)c1cccc(Br)c1)C(=O)O.
What is the InChIKey of 2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid?
The InChIKey is YIGZQDMCVYYCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4S/c1-10(2,9(13)14)12-17(15,16)8-5-3-4-7(11)6-8/h3-6,12H,1-2H3,(H,13,14).
What are the key properties of 2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid?
2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid has a molecular weight of 322.18 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid is sourced from PubChem (CID 61263769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).