2-[(3-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetic acid

C14H13ClN2O4S — CID 146128222

IUPAC2-[(3-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccccn1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O4S/c15-11-4-3-6-13(8-11)22(20,21)17(10-14(18)19)9-12-5-1-2-7-16-12/h1-8H,9-10H2,(H,18,19)
InChIKeyZZWNKELHVGAKRF-UHFFFAOYSA-N
MW340.79 g/mol
LogP2.01
Rot. Bonds6

About 2-[(3-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetic acid

2-[(3-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetic acid (PubChem CID 146128222) has the molecular formula C14H13ClN2O4S and a molecular weight of 340.79 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetic acid
PubChem CID146128222
Molecular FormulaC14H13ClN2O4S
Molecular Weight340.79 g/mol
Exact Mass340.03
IUPAC Name2-[(3-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccccn1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O4S/c15-11-4-3-6-13(8-11)22(20,21)17(10-14(18)19)9-12-5-1-2-7-16-12/h1-8H,9-10H2,(H,18,19)
InChIKeyZZWNKELHVGAKRF-UHFFFAOYSA-N
XLogP2.01
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084535
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 2814680
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 3926551
N-hydroxy-2-[naphthalen-2-ylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 91027075
2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide
CID 7917886
ethyl 2-[(3,4-difluorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate
CID 3855455
2-[4-chloro-N-(pyridin-2-ylmethyl)anilino]acetic acid
CID 54925675
3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 102189251
1-(3-chlorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 62052783
N-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide
CID 168810754
3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 81259129
2-[benzyl-(3-chlorophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 7917888

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[(3-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetic acid (CID 146128222) is 2-[(3-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetic acid is O=C(O)CN(Cc1ccccn1)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetic acid?
The InChIKey is ZZWNKELHVGAKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4S/c15-11-4-3-6-13(8-11)22(20,21)17(10-14(18)19)9-12-5-1-2-7-16-12/h1-8H,9-10H2,(H,18,19).
What are the key properties of 2-[(3-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetic acid?
2-[(3-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetic acid has a molecular weight of 340.79 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 146128222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).