2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetic acid

C16H15Cl2NO4S — CID 164611385

IUPAC2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetic acid
SMILESCCN(c1ccc(CC(=O)O)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2NO4S/c1-2-19(13-6-3-11(4-7-13)9-16(20)21)24(22,23)15-10-12(17)5-8-14(15)18/h3-8,10H,2,9H2,1H3,(H,20,21)
InChIKeyCPMITNHAMWINKZ-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.84
Rot. Bonds6

About 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetic acid

2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetic acid (PubChem CID 164611385) has the molecular formula C16H15Cl2NO4S and a molecular weight of 388.27 g/mol. Its IUPAC name is 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetic acid
PubChem CID164611385
Molecular FormulaC16H15Cl2NO4S
Molecular Weight388.27 g/mol
Exact Mass387.01
IUPAC Name2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetic acid
SMILESCCN(c1ccc(CC(=O)O)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2NO4S/c1-2-19(13-6-3-11(4-7-13)9-16(20)21)24(22,23)15-10-12(17)5-8-14(15)18/h3-8,10H,2,9H2,1H3,(H,20,21)
InChIKeyCPMITNHAMWINKZ-UHFFFAOYSA-N
XLogP3.84
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,6-Dichlorobenzenesulfonamido)phenyl]acetic acid
CID 2443735
2-[4-[(2-Chlorophenyl)sulfonylamino]phenyl]acetic acid
CID 2465192
Methyl {4-[[(4-chlorophenyl)sulfonyl](2-fluorobenzyl)amino]phenyl}acetate
CID 3407589
Ethyl 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetate
CID 164616003
2-[4-[(2-Chlorophenyl)sulfonylamino]phenyl]propanoic acid
CID 44427709
2,5-dichloro-N-ethyl-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 164612298
2-(3-But-3-ynyldiazirin-3-yl)ethyl 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetate
CID 164621514
2-[4-[4-[(2,6-Dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]phenyl]acetic acid
CID 177371413
2-[3-[4-[(2,6-Dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]phenyl]acetic acid
CID 177371414
1-[4-[4-[(2,6-Dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 177371415
1-[3-[4-[(2,6-Dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 177371416
3-[4-[4-[(2,6-Dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]phenyl]propanoic acid
CID 177371417

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetic acid (CID 164611385) is 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetic acid is CCN(c1ccc(CC(=O)O)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetic acid?
The InChIKey is CPMITNHAMWINKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S/c1-2-19(13-6-3-11(4-7-13)9-16(20)21)24(22,23)15-10-12(17)5-8-14(15)18/h3-8,10H,2,9H2,1H3,(H,20,21).
What are the key properties of 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetic acid?
2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetic acid has a molecular weight of 388.27 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetic acid is sourced from PubChem (CID 164611385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).