2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfamoyl]propanoic acid

C11H14ClNO4S — CID 81377048

IUPAC2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N[C@H](C)c1ccccc1Cl
InChIInChI=1S/C11H14ClNO4S/c1-7(9-5-3-4-6-10(9)12)13-18(16,17)8(2)11(14)15/h3-8,13H,1-2H3,(H,14,15)/t7-,8?/m1/s1
InChIKeyQZRMHKAFESFREF-GVHYBUMESA-N
MW291.76 g/mol
LogP1.79
Rot. Bonds5

About 2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfamoyl]propanoic acid

2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfamoyl]propanoic acid (PubChem CID 81377048) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfamoyl]propanoic acid
PubChem CID81377048
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Name2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N[C@H](C)c1ccccc1Cl
InChIInChI=1S/C11H14ClNO4S/c1-7(9-5-3-4-6-10(9)12)13-18(16,17)8(2)11(14)15/h3-8,13H,1-2H3,(H,14,15)/t7-,8?/m1/s1
InChIKeyQZRMHKAFESFREF-GVHYBUMESA-N
XLogP1.79
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 42999040
N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 31391944
2-[1-[2-(difluoromethoxy)phenyl]ethylsulfamoyl]propanoic acid
CID 61455167
3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl-methylamino]propanoic acid
CID 81377508
2-[1-(2,6-difluorophenyl)ethylsulfamoyl]propanoic acid
CID 61455371
5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81374909
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81378158
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide
CID 9410224
2-[1-(1-benzofuran-2-yl)ethylsulfamoyl]propanoic acid
CID 61454837
3-(2-chlorophenyl)-2-methylbutanoic acid
CID 81008605
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81378852

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfamoyl]propanoic acid?
The IUPAC name of 2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfamoyl]propanoic acid (CID 81377048) is 2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfamoyl]propanoic acid?
The canonical SMILES for 2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)N[C@H](C)c1ccccc1Cl.
What is the InChIKey of 2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfamoyl]propanoic acid?
The InChIKey is QZRMHKAFESFREF-GVHYBUMESA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-7(9-5-3-4-6-10(9)12)13-18(16,17)8(2)11(14)15/h3-8,13H,1-2H3,(H,14,15)/t7-,8?/m1/s1.
What are the key properties of 2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfamoyl]propanoic acid?
2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfamoyl]propanoic acid has a molecular weight of 291.76 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 81377048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).