sodium [(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanoyl]azanide

C12H17N2NaO3S — CID 131727857

IUPACsodium [(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanoyl]azanide
SMILESCC(C)S(=O)(=O)Nc1ccc([C@@H](C)C([NH-])=O)cc1.[Na+]
InChIInChI=1S/C12H18N2O3S.Na/c1-8(2)18(16,17)14-11-6-4-10(5-7-11)9(3)12(13)15;/h4-9,14H,1-3H3,(H2,13,15);/q;+1/p-1/t9-;/m1./s1
InChIKeyFQYHFBHESPGJNM-SBSPUUFOSA-M
MW292.34 g/mol
LogP-0.48
Rot. Bonds5

About sodium [(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanoyl]azanide

sodium [(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanoyl]azanide (PubChem CID 131727857) has the molecular formula C12H17N2NaO3S and a molecular weight of 292.34 g/mol. Its IUPAC name is sodium [(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanoyl]azanide.

Molecular Properties

Compound Namesodium [(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanoyl]azanide
PubChem CID131727857
Molecular FormulaC12H17N2NaO3S
Molecular Weight292.34 g/mol
Exact Mass292.09
IUPAC Namesodium [(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanoyl]azanide
SMILESCC(C)S(=O)(=O)Nc1ccc([C@@H](C)C([NH-])=O)cc1.[Na+]
InChIInChI=1S/C12H18N2O3S.Na/c1-8(2)18(16,17)14-11-6-4-10(5-7-11)9(3)12(13)15;/h4-9,14H,1-3H3,(H2,13,15);/q;+1/p-1/t9-;/m1./s1
InChIKeyFQYHFBHESPGJNM-SBSPUUFOSA-M
XLogP-0.48
TPSA87.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide
CID 59136415
(2R)-N-methyl-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide
CID 59136408
(2R)-2-[4-(sulfamoylamino)phenyl]propanoic acid
CID 10214581
N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939276
N-[4-(trifluoromethoxy)phenyl]propane-2-sulfonamide
CID 62999818
N-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide
CID 64781842
N-(3,4-dichlorophenyl)propane-2-sulfonamide
CID 62999267
2-chloro-4-(propan-2-ylsulfonylamino)benzamide
CID 62997643
(2S)-2-[4-(benzenesulfonamido)phenyl]propanamide
CID 23653372
N-(6-chloro-3-pyridinyl)propane-2-sulfonamide
CID 57157565
2-(pyridin-4-ylsulfamoyl)propanoic acid
CID 61454432
N-(4-pyrazol-1-ylphenyl)propane-2-sulfonamide
CID 62999857

Frequently Asked Questions

What is the IUPAC name of sodium [(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanoyl]azanide?
The IUPAC name of sodium [(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanoyl]azanide (CID 131727857) is sodium [(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanoyl]azanide.
What is the SMILES notation for sodium [(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanoyl]azanide?
The canonical SMILES for sodium [(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanoyl]azanide is CC(C)S(=O)(=O)Nc1ccc([C@@H](C)C([NH-])=O)cc1.[Na+].
What is the InChIKey of sodium [(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanoyl]azanide?
The InChIKey is FQYHFBHESPGJNM-SBSPUUFOSA-M. The full InChI is InChI=1S/C12H18N2O3S.Na/c1-8(2)18(16,17)14-11-6-4-10(5-7-11)9(3)12(13)15;/h4-9,14H,1-3H3,(H2,13,15);/q;+1/p-1/t9-;/m1./s1.
What are the key properties of sodium [(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanoyl]azanide?
sodium [(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanoyl]azanide has a molecular weight of 292.34 g/mol, XLogP of -0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanoyl]azanide is sourced from PubChem (CID 131727857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).