(3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid

C16H17NO4S — CID 726567

IUPAC(3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
SMILESCc1ccccc1S(=O)(=O)N[C@H](CC(=O)O)c1ccccc1
InChIInChI=1S/C16H17NO4S/c1-12-7-5-6-10-15(12)22(20,21)17-14(11-16(18)19)13-8-3-2-4-9-13/h2-10,14,17H,11H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyGCGWWUMSWFCKHC-CQSZACIVSA-N
MW319.38 g/mol
LogP2.49
Rot. Bonds6

About (3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid

(3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid (PubChem CID 726567) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is (3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
PubChem CID726567
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name(3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
SMILESCc1ccccc1S(=O)(=O)N[C@H](CC(=O)O)c1ccccc1
InChIInChI=1S/C16H17NO4S/c1-12-7-5-6-10-15(12)22(20,21)17-14(11-16(18)19)13-8-3-2-4-9-13/h2-10,14,17H,11H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyGCGWWUMSWFCKHC-CQSZACIVSA-N
XLogP2.49
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 166273738
methyl 8-[(2-methylphenyl)sulfonylamino]-8-phenyloctanoate
CID 139616772
3-(tert-butylsulfamoylamino)-3-phenylpropanoic acid
CID 114805164
3-(benzenesulfonamido)-3-(4-propan-2-ylphenyl)propanoic acid
CID 5188493
3-(4-chlorophenyl)-3-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 139827869
3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 45439126
3-(methylsulfonylmethylsulfonylamino)-3-phenylpropanoic acid
CID 82839464
(2R)-3-hydroxy-2-[(2-methylphenyl)sulfonylamino]propanoic acid
CID 80750989
3-phenyl-3-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid
CID 23002624
3-phenyl-3-(1H-pyrrol-3-ylsulfonylamino)propanoic acid
CID 43294270
3-[(2-methylpyrazol-3-yl)sulfonylamino]-3-phenylpropanoic acid
CID 104709491
3-(benzenesulfonamido)-3-(4-ethoxyphenyl)propanoic acid
CID 3674305

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid?
The IUPAC name of (3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid (CID 726567) is (3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid.
What is the SMILES notation for (3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid?
The canonical SMILES for (3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid is Cc1ccccc1S(=O)(=O)N[C@H](CC(=O)O)c1ccccc1.
What is the InChIKey of (3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid?
The InChIKey is GCGWWUMSWFCKHC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-12-7-5-6-10-15(12)22(20,21)17-14(11-16(18)19)13-8-3-2-4-9-13/h2-10,14,17H,11H2,1H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid?
(3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid has a molecular weight of 319.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 726567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).