2-[2-(3-chlorophenyl)ethenylsulfonylcarbamoylamino]acetic acid

C11H11ClN2O5S — CID 54448013

IUPAC2-[2-(3-chlorophenyl)ethenylsulfonylcarbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)NS(=O)(=O)C=Cc1cccc(Cl)c1
InChIInChI=1S/C11H11ClN2O5S/c12-9-3-1-2-8(6-9)4-5-20(18,19)14-11(17)13-7-10(15)16/h1-6H,7H2,(H,15,16)(H2,13,14,17)
InChIKeyWSXRWKOYWVYWPU-UHFFFAOYSA-N
MW318.74 g/mol
LogP1.02
Rot. Bonds5

About 2-[2-(3-chlorophenyl)ethenylsulfonylcarbamoylamino]acetic acid

2-[2-(3-chlorophenyl)ethenylsulfonylcarbamoylamino]acetic acid (PubChem CID 54448013) has the molecular formula C11H11ClN2O5S and a molecular weight of 318.74 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethenylsulfonylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethenylsulfonylcarbamoylamino]acetic acid
PubChem CID54448013
Molecular FormulaC11H11ClN2O5S
Molecular Weight318.74 g/mol
Exact Mass318.01
IUPAC Name2-[2-(3-chlorophenyl)ethenylsulfonylcarbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)NS(=O)(=O)C=Cc1cccc(Cl)c1
InChIInChI=1S/C11H11ClN2O5S/c12-9-3-1-2-8(6-9)4-5-20(18,19)14-11(17)13-7-10(15)16/h1-6H,7H2,(H,15,16)(H2,13,14,17)
InChIKeyWSXRWKOYWVYWPU-UHFFFAOYSA-N
XLogP1.02
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid
CID 108906497
methyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylcarbamoylamino]acetate
CID 22750871
5-(3-chlorophenyl)pent-4-enoic acid
CID 72993428
2-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]acetic acid
CID 6235486
N-[2-(3-chlorophenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide
CID 69431084
(E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide
CID 115636575
4-chloro-2-methyl-N-(2-phenylethenylsulfonyl)benzamide
CID 69433232
(E)-3-(3-chlorophenyl)prop-2-ene-1-sulfonic acid
CID 132533790
2-[[2-[(3-chlorophenyl)carbamoylamino]acetyl]amino]acetic acid
CID 5003130
4-[3-(3-chlorophenyl)prop-2-enoylamino]butanoic acid
CID 74868291
(E)-3-(3-chlorophenyl)-N-[7-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]heptyl]prop-2-enamide
CID 6167041
[(E)-2-phenylethenyl]sulfonylurea
CID 22750927

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethenylsulfonylcarbamoylamino]acetic acid?
The IUPAC name of 2-[2-(3-chlorophenyl)ethenylsulfonylcarbamoylamino]acetic acid (CID 54448013) is 2-[2-(3-chlorophenyl)ethenylsulfonylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethenylsulfonylcarbamoylamino]acetic acid?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethenylsulfonylcarbamoylamino]acetic acid is O=C(O)CNC(=O)NS(=O)(=O)C=Cc1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethenylsulfonylcarbamoylamino]acetic acid?
The InChIKey is WSXRWKOYWVYWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O5S/c12-9-3-1-2-8(6-9)4-5-20(18,19)14-11(17)13-7-10(15)16/h1-6H,7H2,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[2-(3-chlorophenyl)ethenylsulfonylcarbamoylamino]acetic acid?
2-[2-(3-chlorophenyl)ethenylsulfonylcarbamoylamino]acetic acid has a molecular weight of 318.74 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethenylsulfonylcarbamoylamino]acetic acid is sourced from PubChem (CID 54448013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).