(2S)-3-(4-hydroxyphenyl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid

C16H17NO5S — CID 69341011

IUPAC(2S)-3-(4-hydroxyphenyl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid
SMILESCc1ccccc1S(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C16H17NO5S/c1-11-4-2-3-5-15(11)23(21,22)17-14(16(19)20)10-12-6-8-13(18)9-7-12/h2-9,14,17-18H,10H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyWIMMVSQPTCPDTD-AWEZNQCLSA-N
MW335.38 g/mol
LogP1.67
Rot. Bonds6

About (2S)-3-(4-hydroxyphenyl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid

(2S)-3-(4-hydroxyphenyl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid (PubChem CID 69341011) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is (2S)-3-(4-hydroxyphenyl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-(4-hydroxyphenyl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid
PubChem CID69341011
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name(2S)-3-(4-hydroxyphenyl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid
SMILESCc1ccccc1S(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C16H17NO5S/c1-11-4-2-3-5-15(11)23(21,22)17-14(16(19)20)10-12-6-8-13(18)9-7-12/h2-9,14,17-18H,10H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyWIMMVSQPTCPDTD-AWEZNQCLSA-N
XLogP1.67
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-hydroxy-2-[(2-methylphenyl)sulfonylamino]propanoic acid
CID 80750989
3-[(2-methylphenyl)sulfonylamino]-2-oxo-4-phenylbutanamide
CID 175269810
(2S)-3-(4-hydroxyphenyl)-2-(propan-2-ylsulfonylamino)propanoic acid
CID 61144542
2-[(2-methylphenyl)sulfonylamino]-3-[4-[3-(propylcarbamoylamino)phenyl]phenyl]propanoic acid
CID 22092793
(2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid
CID 22216410
(2S)-3-(4-hydroxyphenyl)-2-(propylsulfonylamino)propanoic acid
CID 30046268
(2R)-3-phenyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid
CID 1186780
(2S)-2-[[4-(difluoromethyl)phenyl]sulfonylamino]-3-(4-hydroxyphenyl)propanoic acid
CID 167790252
(2S)-3-(4-hydroxyphenyl)-2-[(3-methylphenyl)methylsulfonylamino]propanoic acid
CID 167978342
(2S)-3-[4-[[4-[carbamimidoyl(phenylmethoxycarbonyl)amino]-4-oxobutanoyl]amino]phenyl]-2-[(2-methylphenyl)sulfonylamino]propanoic acid
CID 70062744
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 1190229
(2R)-3-(4-hydroxyphenyl)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid
CID 104904509

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-hydroxyphenyl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid?
The IUPAC name of (2S)-3-(4-hydroxyphenyl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid (CID 69341011) is (2S)-3-(4-hydroxyphenyl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2S)-3-(4-hydroxyphenyl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2S)-3-(4-hydroxyphenyl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid is Cc1ccccc1S(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of (2S)-3-(4-hydroxyphenyl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid?
The InChIKey is WIMMVSQPTCPDTD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-11-4-2-3-5-15(11)23(21,22)17-14(16(19)20)10-12-6-8-13(18)9-7-12/h2-9,14,17-18H,10H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-3-(4-hydroxyphenyl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid?
(2S)-3-(4-hydroxyphenyl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid has a molecular weight of 335.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-hydroxyphenyl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 69341011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).