2-[(2,6-dichlorophenyl)sulfonyl-propylamino]acetic acid

C11H13Cl2NO4S — CID 61007543

IUPAC2-[(2,6-dichlorophenyl)sulfonyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NO4S/c1-2-6-14(7-10(15)16)19(17,18)11-8(12)4-3-5-9(11)13/h3-5H,2,6-7H2,1H3,(H,15,16)
InChIKeyNPCAVEVWBMRMSG-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.48
Rot. Bonds6

About 2-[(2,6-dichlorophenyl)sulfonyl-propylamino]acetic acid

2-[(2,6-dichlorophenyl)sulfonyl-propylamino]acetic acid (PubChem CID 61007543) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)sulfonyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)sulfonyl-propylamino]acetic acid
PubChem CID61007543
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Name2-[(2,6-dichlorophenyl)sulfonyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NO4S/c1-2-6-14(7-10(15)16)19(17,18)11-8(12)4-3-5-9(11)13/h3-5H,2,6-7H2,1H3,(H,15,16)
InChIKeyNPCAVEVWBMRMSG-UHFFFAOYSA-N
XLogP2.48
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-Dichloro-benzenesulfonylamino)-acetic acid
CID 697935
2-[(3-Chlorophenyl)sulfonyl-(3-methoxypropyl)amino]acetic acid
CID 2124611
2-(N-methyl-4-chlorobenzenesulfonamido)acetic acid
CID 362744
2-[N-(prop-2-en-1-yl)4-chlorobenzenesulfonamido]acetic acid
CID 2095452
N-[(2,5-dichlorophenyl)sulfonyl]-N-methylglycine
CID 892423
N-[(2,5-dichlorophenyl)sulfonyl]-N-ethylglycine
CID 1256112
2-(2,6-Dichlorobenzenesulfonamido)propanoic acid
CID 3729097
N-[(4-chlorophenyl)sulfonyl]-N-cyclohexylglycine
CID 2936747
(((4-Chlorophenyl)sulfonyl)(isobutyl)amino)acetic acid
CID 5081152
2-(2-Chlorobenzenesulfonamido)acetic acid
CID 16228307
(2S)-2-(2,6-Dichlorobenzenesulfonamido)propanoic acid
CID 697940
{Butyl[(4-chlorophenyl)sulfonyl]amino}acetic acid
CID 3702839

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)sulfonyl-propylamino]acetic acid?
The IUPAC name of 2-[(2,6-dichlorophenyl)sulfonyl-propylamino]acetic acid (CID 61007543) is 2-[(2,6-dichlorophenyl)sulfonyl-propylamino]acetic acid.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)sulfonyl-propylamino]acetic acid?
The canonical SMILES for 2-[(2,6-dichlorophenyl)sulfonyl-propylamino]acetic acid is CCCN(CC(=O)O)S(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)sulfonyl-propylamino]acetic acid?
The InChIKey is NPCAVEVWBMRMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c1-2-6-14(7-10(15)16)19(17,18)11-8(12)4-3-5-9(11)13/h3-5H,2,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[(2,6-dichlorophenyl)sulfonyl-propylamino]acetic acid?
2-[(2,6-dichlorophenyl)sulfonyl-propylamino]acetic acid has a molecular weight of 326.20 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)sulfonyl-propylamino]acetic acid is sourced from PubChem (CID 61007543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).