2-(N-(4-aminophenyl)sulfonylanilino)acetic acid

C14H14N2O4S — CID 14423402

IUPAC2-(N-(4-aminophenyl)sulfonylanilino)acetic acid
SMILESNc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C14H14N2O4S/c15-11-6-8-13(9-7-11)21(19,20)16(10-14(17)18)12-4-2-1-3-5-12/h1-9H,10,15H2,(H,17,18)
InChIKeyLBEKHODQOXWEKA-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.55
Rot. Bonds5

About 2-(N-(4-aminophenyl)sulfonylanilino)acetic acid

2-(N-(4-aminophenyl)sulfonylanilino)acetic acid (PubChem CID 14423402) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-(N-(4-aminophenyl)sulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(4-aminophenyl)sulfonylanilino)acetic acid
PubChem CID14423402
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-(N-(4-aminophenyl)sulfonylanilino)acetic acid
SMILESNc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C14H14N2O4S/c15-11-6-8-13(9-7-11)21(19,20)16(10-14(17)18)12-4-2-1-3-5-12/h1-9H,10,15H2,(H,17,18)
InChIKeyLBEKHODQOXWEKA-UHFFFAOYSA-N
XLogP1.55
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetic acid
CID 1486690
2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid
CID 1486714
2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide
CID 21212069
2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100541360
4-[carboxymethyl-(4-fluorophenyl)sulfonylamino]benzoic acid
CID 50894343
2-[benzenesulfonyl-[4-[benzenesulfonyl(carboxymethyl)amino]naphthalen-1-yl]amino]acetic acid
CID 122184784
2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 798122
2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid
CID 50890513
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 58978369
2-[N-(benzenesulfonyl)-4-bromoanilino]acetate
CID 7329873
2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide
CID 1099916
3-(N-(4-aminophenyl)sulfonylanilino)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 139806946

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-aminophenyl)sulfonylanilino)acetic acid?
The IUPAC name of 2-(N-(4-aminophenyl)sulfonylanilino)acetic acid (CID 14423402) is 2-(N-(4-aminophenyl)sulfonylanilino)acetic acid.
What is the SMILES notation for 2-(N-(4-aminophenyl)sulfonylanilino)acetic acid?
The canonical SMILES for 2-(N-(4-aminophenyl)sulfonylanilino)acetic acid is Nc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2)cc1.
What is the InChIKey of 2-(N-(4-aminophenyl)sulfonylanilino)acetic acid?
The InChIKey is LBEKHODQOXWEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c15-11-6-8-13(9-7-11)21(19,20)16(10-14(17)18)12-4-2-1-3-5-12/h1-9H,10,15H2,(H,17,18).
What are the key properties of 2-(N-(4-aminophenyl)sulfonylanilino)acetic acid?
2-(N-(4-aminophenyl)sulfonylanilino)acetic acid has a molecular weight of 306.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-aminophenyl)sulfonylanilino)acetic acid is sourced from PubChem (CID 14423402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).