2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid

C10H12BrNO4S — CID 81371672

IUPAC2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid
SMILESC[C@H](NS(=O)(=O)CC(=O)O)c1cccc(Br)c1
InChIInChI=1S/C10H12BrNO4S/c1-7(8-3-2-4-9(11)5-8)12-17(15,16)6-10(13)14/h2-5,7,12H,6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyPINWDANVFXYONN-ZETCQYMHSA-N
MW322.18 g/mol
LogP1.51
Rot. Bonds5

About 2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid

2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid (PubChem CID 81371672) has the molecular formula C10H12BrNO4S and a molecular weight of 322.18 g/mol. Its IUPAC name is 2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid
PubChem CID81371672
Molecular FormulaC10H12BrNO4S
Molecular Weight322.18 g/mol
Exact Mass320.97
IUPAC Name2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid
SMILESC[C@H](NS(=O)(=O)CC(=O)O)c1cccc(Br)c1
InChIInChI=1S/C10H12BrNO4S/c1-7(8-3-2-4-9(11)5-8)12-17(15,16)6-10(13)14/h2-5,7,12H,6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyPINWDANVFXYONN-ZETCQYMHSA-N
XLogP1.51
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]propanoic acid
CID 81371671
4-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]butanoic acid
CID 81371590
N-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide
CID 107858585
N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide
CID 107858584
2-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]acetic acid
CID 81406791
N-[1-(3-bromophenyl)ethyl]-2-(cyclopropylamino)ethanesulfonamide
CID 106002819
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56513401
4-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanoic acid
CID 81382738
4-[1-(3-bromophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43701897
5-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]furan-2-carboxylic acid
CID 81370759
2-[[(1S)-1-(3-bromophenyl)ethyl]amino]propanoic acid
CID 81381272
2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 63420635

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid (CID 81371672) is 2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid is C[C@H](NS(=O)(=O)CC(=O)O)c1cccc(Br)c1.
What is the InChIKey of 2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid?
The InChIKey is PINWDANVFXYONN-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12BrNO4S/c1-7(8-3-2-4-9(11)5-8)12-17(15,16)6-10(13)14/h2-5,7,12H,6H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of 2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid?
2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid has a molecular weight of 322.18 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid is sourced from PubChem (CID 81371672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).