(2S)-2-amino-3-phenylpropanoic acid;naphthalene-1-sulfonamide

C19H20N2O4S — CID 122516263

IUPAC(2S)-2-amino-3-phenylpropanoic acid;naphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1cccc2ccccc12.N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H9NO2S.C9H11NO2/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;10-8(9(11)12)6-7-4-2-1-3-5-7/h1-7H,(H2,11,12,13);1-5,8H,6,10H2,(H,11,12)/t;8-/m.0/s1
InChIKeyIHTIDPSBUDTAKF-WDBKTSHHSA-N
MW372.45 g/mol
LogP2.13
Rot. Bonds4

About (2S)-2-amino-3-phenylpropanoic acid;naphthalene-1-sulfonamide

(2S)-2-amino-3-phenylpropanoic acid;naphthalene-1-sulfonamide (PubChem CID 122516263) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is (2S)-2-amino-3-phenylpropanoic acid;naphthalene-1-sulfonamide.

Molecular Properties

Compound Name(2S)-2-amino-3-phenylpropanoic acid;naphthalene-1-sulfonamide
PubChem CID122516263
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name(2S)-2-amino-3-phenylpropanoic acid;naphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1cccc2ccccc12.N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H9NO2S.C9H11NO2/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;10-8(9(11)12)6-7-4-2-1-3-5-7/h1-7H,(H2,11,12,13);1-5,8H,6,10H2,(H,11,12)/t;8-/m.0/s1
InChIKeyIHTIDPSBUDTAKF-WDBKTSHHSA-N
XLogP2.13
TPSA123.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S)-2-amino-3-phenylpropanoic acid;azane
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(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
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azane;naphthalene-1-sulfonamide
CID 174765300
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
CID 70476310
CID 70476310
acetylene;(2S)-2-amino-3-phenylpropanoic acid
CID 158164827

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;naphthalene-1-sulfonamide?
The IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;naphthalene-1-sulfonamide (CID 122516263) is (2S)-2-amino-3-phenylpropanoic acid;naphthalene-1-sulfonamide.
What is the SMILES notation for (2S)-2-amino-3-phenylpropanoic acid;naphthalene-1-sulfonamide?
The canonical SMILES for (2S)-2-amino-3-phenylpropanoic acid;naphthalene-1-sulfonamide is NS(=O)(=O)c1cccc2ccccc12.N[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-phenylpropanoic acid;naphthalene-1-sulfonamide?
The InChIKey is IHTIDPSBUDTAKF-WDBKTSHHSA-N. The full InChI is InChI=1S/C10H9NO2S.C9H11NO2/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;10-8(9(11)12)6-7-4-2-1-3-5-7/h1-7H,(H2,11,12,13);1-5,8H,6,10H2,(H,11,12)/t;8-/m.0/s1.
What are the key properties of (2S)-2-amino-3-phenylpropanoic acid;naphthalene-1-sulfonamide?
(2S)-2-amino-3-phenylpropanoic acid;naphthalene-1-sulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenylpropanoic acid;naphthalene-1-sulfonamide is sourced from PubChem (CID 122516263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).