4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid

C16H18N2O4S — CID 58279902

IUPAC4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid
SMILESNCCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H18N2O4S/c17-11-10-15(16(19)20)18-23(21,22)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,18H,10-11,17H2,(H,19,20)
InChIKeyDEPJZWDONDEPLW-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.43
Rot. Bonds7

About 4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid

4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid (PubChem CID 58279902) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid
PubChem CID58279902
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid
SMILESNCCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H18N2O4S/c17-11-10-15(16(19)20)18-23(21,22)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,18H,10-11,17H2,(H,19,20)
InChIKeyDEPJZWDONDEPLW-UHFFFAOYSA-N
XLogP1.43
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoate
CID 75113060
4-(1,3-dioxoisoindol-2-yl)-2-[(4-phenylphenyl)sulfonylamino]butanoic acid
CID 18682832
3-amino-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide
CID 58835331
(2S)-5-oxo-2-[(4-phenylphenyl)sulfonylamino]-5-(propylamino)pentanoic acid
CID 127044139
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-fluorobutanoic acid
CID 59001025
3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 18328781
methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate
CID 3776760
(2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-5-(1,3-dioxoisoindol-2-yl)pentanoic acid
CID 54443289
(2S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid
CID 54264937
(2R)-3-methyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]butanoic acid
CID 71347191
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
4-chloro-2-[(4-methylphenyl)sulfonylamino]butanoic acid
CID 19391793

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid?
The IUPAC name of 4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid (CID 58279902) is 4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for 4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid?
The canonical SMILES for 4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid is NCCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid?
The InChIKey is DEPJZWDONDEPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c17-11-10-15(16(19)20)18-23(21,22)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,18H,10-11,17H2,(H,19,20).
What are the key properties of 4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid?
4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid has a molecular weight of 334.40 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 58279902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).