2-[1-(4-chlorophenyl)ethylsulfamoyl]acetic acid

C10H12ClNO4S — CID 43361907

IUPAC2-[1-(4-chlorophenyl)ethylsulfamoyl]acetic acid
SMILESCC(NS(=O)(=O)CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO4S/c1-7(8-2-4-9(11)5-3-8)12-17(15,16)6-10(13)14/h2-5,7,12H,6H2,1H3,(H,13,14)
InChIKeyRJPWXJBILIISOB-UHFFFAOYSA-N
MW277.73 g/mol
LogP1.40
Rot. Bonds5

About 2-[1-(4-chlorophenyl)ethylsulfamoyl]acetic acid

2-[1-(4-chlorophenyl)ethylsulfamoyl]acetic acid (PubChem CID 43361907) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethylsulfamoyl]acetic acid
PubChem CID43361907
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Name2-[1-(4-chlorophenyl)ethylsulfamoyl]acetic acid
SMILESCC(NS(=O)(=O)CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO4S/c1-7(8-2-4-9(11)5-3-8)12-17(15,16)6-10(13)14/h2-5,7,12H,6H2,1H3,(H,13,14)
InChIKeyRJPWXJBILIISOB-UHFFFAOYSA-N
XLogP1.40
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]acetic acid
CID 81406791
2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid
CID 81371672
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid
CID 81354147
1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 43908400
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propanoic acid
CID 81352269
2-[1-(2-methylphenyl)ethylsulfamoyl]acetic acid
CID 43361953
3-[[(1S)-1-(4-methylphenyl)ethyl]sulfamoyl]propanoic acid
CID 81350145
N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
CID 22201177
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 63665593
N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide
CID 3814235
4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 22200952

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethylsulfamoyl]acetic acid?
The IUPAC name of 2-[1-(4-chlorophenyl)ethylsulfamoyl]acetic acid (CID 43361907) is 2-[1-(4-chlorophenyl)ethylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethylsulfamoyl]acetic acid?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethylsulfamoyl]acetic acid is CC(NS(=O)(=O)CC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethylsulfamoyl]acetic acid?
The InChIKey is RJPWXJBILIISOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c1-7(8-2-4-9(11)5-3-8)12-17(15,16)6-10(13)14/h2-5,7,12H,6H2,1H3,(H,13,14).
What are the key properties of 2-[1-(4-chlorophenyl)ethylsulfamoyl]acetic acid?
2-[1-(4-chlorophenyl)ethylsulfamoyl]acetic acid has a molecular weight of 277.73 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethylsulfamoyl]acetic acid is sourced from PubChem (CID 43361907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).