2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid

C15H14ClNO4S — CID 3926551

IUPAC2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14ClNO4S/c16-13-8-6-12(7-9-13)10-17(11-15(18)19)22(20,21)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,19)
InChIKeyFOGHRIQCOFAJBP-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.62
Rot. Bonds6

About 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid

2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid (PubChem CID 3926551) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid
PubChem CID3926551
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14ClNO4S/c16-13-8-6-12(7-9-13)10-17(11-15(18)19)22(20,21)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,19)
InChIKeyFOGHRIQCOFAJBP-UHFFFAOYSA-N
XLogP2.62
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetic acid
CID 4075266
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide
CID 2300342
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 126010858
2-[benzenesulfonyl(benzyl)amino]acetyl chloride
CID 50894500
3-[benzyl-(4-chlorophenyl)sulfonylamino]propanoic acid
CID 45472536
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide
CID 21380315
N-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 126010590
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 2925753
methyl 4-[[2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetyl]amino]benzoate
CID 1021052
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)acetamide
CID 22781566
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-ethoxyacetamide
CID 18168976

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid (CID 3926551) is 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid is O=C(O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid?
The InChIKey is FOGHRIQCOFAJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c16-13-8-6-12(7-9-13)10-17(11-15(18)19)22(20,21)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,19).
What are the key properties of 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid?
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid has a molecular weight of 339.80 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid is sourced from PubChem (CID 3926551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).