(2R)-2-[(4-aminophenyl)sulfonylamino]-3-phenylpropanoate

C15H15N2O4S- — CID 6942145

IUPAC(2R)-2-[(4-aminophenyl)sulfonylamino]-3-phenylpropanoate
SMILESNc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1
InChIInChI=1S/C15H16N2O4S/c16-12-6-8-13(9-7-12)22(20,21)17-14(15(18)19)10-11-4-2-1-3-5-11/h1-9,14,17H,10,16H2,(H,18,19)/p-1/t14-/m1/s1
InChIKeyAAWOKTGNZABRTQ-CQSZACIVSA-M
MW319.36 g/mol
LogP-0.09
Rot. Bonds6

About (2R)-2-[(4-aminophenyl)sulfonylamino]-3-phenylpropanoate

(2R)-2-[(4-aminophenyl)sulfonylamino]-3-phenylpropanoate (PubChem CID 6942145) has the molecular formula C15H15N2O4S- and a molecular weight of 319.36 g/mol. Its IUPAC name is (2R)-2-[(4-aminophenyl)sulfonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Name(2R)-2-[(4-aminophenyl)sulfonylamino]-3-phenylpropanoate
PubChem CID6942145
Molecular FormulaC15H15N2O4S-
Molecular Weight319.36 g/mol
Exact Mass319.08
IUPAC Name(2R)-2-[(4-aminophenyl)sulfonylamino]-3-phenylpropanoate
SMILESNc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1
InChIInChI=1S/C15H16N2O4S/c16-12-6-8-13(9-7-12)22(20,21)17-14(15(18)19)10-11-4-2-1-3-5-11/h1-9,14,17H,10,16H2,(H,18,19)/p-1/t14-/m1/s1
InChIKeyAAWOKTGNZABRTQ-CQSZACIVSA-M
XLogP-0.09
TPSA112.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 139844001
2-[(3,4-dimethylphenyl)sulfonylamino]-3-phenylpropanoate
CID 4984236
(2S)-2-[[4-(ethoxycarbonylamino)phenyl]sulfonylamino]-3-phenylpropanoate
CID 2185117
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3690831
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenylpropanoate
CID 3312735
2-[(3-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 4075518
(2R)-2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 2123699
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl fluoride
CID 175585401
(2S)-2-(benzenesulfonamido)butanoate
CID 6944962
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 1190229
methyl 2-[(4-tert-butylphenyl)sulfonylamino]-3-phenylpropanoate
CID 3837922

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-aminophenyl)sulfonylamino]-3-phenylpropanoate?
The IUPAC name of (2R)-2-[(4-aminophenyl)sulfonylamino]-3-phenylpropanoate (CID 6942145) is (2R)-2-[(4-aminophenyl)sulfonylamino]-3-phenylpropanoate.
What is the SMILES notation for (2R)-2-[(4-aminophenyl)sulfonylamino]-3-phenylpropanoate?
The canonical SMILES for (2R)-2-[(4-aminophenyl)sulfonylamino]-3-phenylpropanoate is Nc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1.
What is the InChIKey of (2R)-2-[(4-aminophenyl)sulfonylamino]-3-phenylpropanoate?
The InChIKey is AAWOKTGNZABRTQ-CQSZACIVSA-M. The full InChI is InChI=1S/C15H16N2O4S/c16-12-6-8-13(9-7-12)22(20,21)17-14(15(18)19)10-11-4-2-1-3-5-11/h1-9,14,17H,10,16H2,(H,18,19)/p-1/t14-/m1/s1.
What are the key properties of (2R)-2-[(4-aminophenyl)sulfonylamino]-3-phenylpropanoate?
(2R)-2-[(4-aminophenyl)sulfonylamino]-3-phenylpropanoate has a molecular weight of 319.36 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-aminophenyl)sulfonylamino]-3-phenylpropanoate is sourced from PubChem (CID 6942145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).